N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C24H25N3O4 — CID 51070141

IUPACN-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCC(=O)NCc3ccccc3)C3CC3)no2)c1
InChIInChI=1S/C24H25N3O4/c1-30-20-9-5-8-18(14-20)22-15-21(26-31-22)24(29)27(19-10-11-19)13-12-23(28)25-16-17-6-3-2-4-7-17/h2-9,14-15,19H,10-13,16H2,1H3,(H,25,28)
InChIKeyBITTYLUXMQCLFR-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.66
Rot. Bonds9

About N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 51070141) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID51070141
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N(CCC(=O)NCc3ccccc3)C3CC3)no2)c1
InChIInChI=1S/C24H25N3O4/c1-30-20-9-5-8-18(14-20)22-15-21(26-31-22)24(29)27(19-10-11-19)13-12-23(28)25-16-17-6-3-2-4-7-17/h2-9,14-15,19H,10-13,16H2,1H3,(H,25,28)
InChIKeyBITTYLUXMQCLFR-UHFFFAOYSA-N
XLogP3.66
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-(3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140721
5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 46111906
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 90488192
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16867057
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
N-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17013291
N-(2-methoxyethyl)-5-(4-methoxyphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 51069948
1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812811
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 51070141) is N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)N(CCC(=O)NCc3ccccc3)C3CC3)no2)c1.
What is the InChIKey of N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BITTYLUXMQCLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-20-9-5-8-18(14-20)22-15-21(26-31-22)24(29)27(19-10-11-19)13-12-23(28)25-16-17-6-3-2-4-7-17/h2-9,14-15,19H,10-13,16H2,1H3,(H,25,28).
What are the key properties of N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylamino)-3-oxopropyl]-N-cyclopropyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51070141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).