N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C24H24Cl2N4O3 — CID 23851460

IUPACN-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)NC2CCC(N)CC2)c(Cl)c1
InChIInChI=1S/C24H24Cl2N4O3/c1-13-21(22(30-33-13)17-4-2-3-5-19(17)25)24(32)29-16-10-11-18(20(26)12-16)23(31)28-15-8-6-14(27)7-9-15/h2-5,10-12,14-15H,6-9,27H2,1H3,(H,28,31)(H,29,32)
InChIKeyHDZYGWGAMZCXMU-UHFFFAOYSA-N
MW487.39 g/mol
LogP5.21
Rot. Bonds5

About N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 23851460) has the molecular formula C24H24Cl2N4O3 and a molecular weight of 487.39 g/mol. Its IUPAC name is N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID23851460
Molecular FormulaC24H24Cl2N4O3
Molecular Weight487.39 g/mol
Exact Mass486.12
IUPAC NameN-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)NC2CCC(N)CC2)c(Cl)c1
InChIInChI=1S/C24H24Cl2N4O3/c1-13-21(22(30-33-13)17-4-2-3-5-19(17)25)24(32)29-16-10-11-18(20(26)12-16)23(31)28-15-8-6-14(27)7-9-15/h2-5,10-12,14-15H,6-9,27H2,1H3,(H,28,31)(H,29,32)
InChIKeyHDZYGWGAMZCXMU-UHFFFAOYSA-N
XLogP5.21
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.39
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843
N-(3-carbamoyl-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166186406
3-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 78886764
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
3-(2-chlorophenyl)-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-4-carboxamide
CID 17488472
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78883751
3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71786212
3-(2-chlorophenyl)-5-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 50777095
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3443084
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119590660
3-(2-chlorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 78864773

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 23851460) is N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)NC2CCC(N)CC2)c(Cl)c1.
What is the InChIKey of N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HDZYGWGAMZCXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O3/c1-13-21(22(30-33-13)17-4-2-3-5-19(17)25)24(32)29-16-10-11-18(20(26)12-16)23(31)28-15-8-6-14(27)7-9-15/h2-5,10-12,14-15H,6-9,27H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 487.39 g/mol, XLogP of 5.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminocyclohexyl)carbamoyl]-3-chlorophenyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 23851460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).