N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide

C21H27N3O3 — CID 651038

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2c(C)noc2C)c1
InChIInChI=1S/C21H27N3O3/c1-14-8-7-11-18(12-14)24(21(26)20-15(2)23-27-16(20)3)13-19(25)22-17-9-5-4-6-10-17/h7-8,11-12,17H,4-6,9-10,13H2,1-3H3,(H,22,25)
InChIKeyADZIAUDIWJCIHL-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.70
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 651038) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID651038
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2c(C)noc2C)c1
InChIInChI=1S/C21H27N3O3/c1-14-8-7-11-18(12-14)24(21(26)20-15(2)23-27-16(20)3)13-19(25)22-17-9-5-4-6-10-17/h7-8,11-12,17H,4-6,9-10,13H2,1-3H3,(H,22,25)
InChIKeyADZIAUDIWJCIHL-UHFFFAOYSA-N
XLogP3.70
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide (CID 651038) is N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide is Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is ADZIAUDIWJCIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-8-7-11-18(12-14)24(21(26)20-15(2)23-27-16(20)3)13-19(25)22-17-9-5-4-6-10-17/h7-8,11-12,17H,4-6,9-10,13H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-3,5-dimethyl-N-(3-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 651038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).