N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide

C22H31N3O3 — CID 93222362

IUPACN-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(CCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C
InChIInChI=1S/C22H31N3O3/c1-4-20(26)24(14-15-27-3)16-19-21(18-11-6-5-7-12-18)23-28-22(19)25-13-9-8-10-17(25)2/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1
InChIKeyJTDJITIMJIIKRN-QGZVFWFLSA-N
MW385.51 g/mol
LogP4.11
Rot. Bonds8

About N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide

N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide (PubChem CID 93222362) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
PubChem CID93222362
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide
SMILESCCC(=O)N(CCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C
InChIInChI=1S/C22H31N3O3/c1-4-20(26)24(14-15-27-3)16-19-21(18-11-6-5-7-12-18)23-28-22(19)25-13-9-8-10-17(25)2/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1
InChIKeyJTDJITIMJIIKRN-QGZVFWFLSA-N
XLogP4.11
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222363
N-(2-methoxyethyl)-3-methyl-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]butanamide
CID 46027892
N-(3-methoxypropyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]cyclopentanecarboxamide
CID 93222395
2-methoxy-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 93222343
4-chloro-N-(3-methoxypropyl)-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 42843741
3-(4-fluorophenyl)-1-(2-methoxyethyl)-1-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]thiourea
CID 46027968
N-[2-(dimethylamino)ethyl]-N-[[5-[(2S)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222414
1-[2-(dimethylamino)ethyl]-1-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-3-propan-2-ylurea
CID 46153504
N-(2-methoxyethyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46014996
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779
3-fluoro-N-[[5-(2-methylpiperidin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 46027882
N-(3-methoxypropyl)-N-[(5-morpholin-4-yl-3-phenyl-1,2-oxazol-4-yl)methyl]cyclopentanecarboxamide
CID 46015022

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide (CID 93222362) is N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide is CCC(=O)N(CCOC)Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C.
What is the InChIKey of N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide?
The InChIKey is JTDJITIMJIIKRN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-4-20(26)24(14-15-27-3)16-19-21(18-11-6-5-7-12-18)23-28-22(19)25-13-9-8-10-17(25)2/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide?
N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide has a molecular weight of 385.51 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[5-[(2R)-2-methylpiperidin-1-yl]-3-phenyl-1,2-oxazol-4-yl]methyl]propanamide is sourced from PubChem (CID 93222362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).