N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide

C31H34N4O3 — CID 134166486

IUPACN-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1-c1cnc2c(c1)CNCC2
InChIInChI=1S/C31H34N4O3/c1-5-33-31(36)29-28(23-14-22-16-32-12-11-26(22)34-17-23)30(38-35-29)25-15-24(19(2)3)20(4)13-27(25)37-18-21-9-7-6-8-10-21/h6-10,13-15,17,19,32H,5,11-12,16,18H2,1-4H3,(H,33,36)
InChIKeyIQSZYWLGSVJXOG-UHFFFAOYSA-N
MW510.64 g/mol
LogP5.81
Rot. Bonds8

About N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide

N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 134166486) has the molecular formula C31H34N4O3 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID134166486
Molecular FormulaC31H34N4O3
Molecular Weight510.64 g/mol
Exact Mass510.26
IUPAC NameN-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1noc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1-c1cnc2c(c1)CNCC2
InChIInChI=1S/C31H34N4O3/c1-5-33-31(36)29-28(23-14-22-16-32-12-11-26(22)34-17-23)30(38-35-29)25-15-24(19(2)3)20(4)13-27(25)37-18-21-9-7-6-8-10-21/h6-10,13-15,17,19,32H,5,11-12,16,18H2,1-4H3,(H,33,36)
InChIKeyIQSZYWLGSVJXOG-UHFFFAOYSA-N
XLogP5.81
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,2-oxazole-3-carboxamide
CID 135265032
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-ethylsulfonylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide
CID 135265010
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[2-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide;5-(2,4-dimethyl-5-propan-2-ylphenyl)-N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide;trichloroborane
CID 157285418
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67375076
5-(2,4-dibutoxy-5-propan-2-ylphenyl)-N-ethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)-1,2-oxazole-3-carboxamide
CID 122430033
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 135265013
N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 134166507
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(2-ethyltetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67374989
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(oxiran-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
CID 87376641
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
CID 145125230
4-[4-(diethylaminomethyl)phenyl]-N-ethyl-5-[5-phenyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773881

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide (CID 134166486) is N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide is CCNC(=O)c1noc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)c1-c1cnc2c(c1)CNCC2.
What is the InChIKey of N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is IQSZYWLGSVJXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O3/c1-5-33-31(36)29-28(23-14-22-16-32-12-11-26(22)34-17-23)30(38-35-29)25-15-24(19(2)3)20(4)13-27(25)37-18-21-9-7-6-8-10-21/h6-10,13-15,17,19,32H,5,11-12,16,18H2,1-4H3,(H,33,36).
What are the key properties of N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide?
N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134166486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).