N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

C18H21ClFN3O3 — CID 39966491

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H21ClFN3O3/c1-10-14(17(25)23(5)9-13(24)21-18(2,3)4)16(22-26-10)15-11(19)7-6-8-12(15)20/h6-8H,9H2,1-5H3,(H,21,24)
InChIKeyIPKVPOLYTTYECR-UHFFFAOYSA-N
MW381.84 g/mol
LogP3.43
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 39966491) has the molecular formula C18H21ClFN3O3 and a molecular weight of 381.84 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID39966491
Molecular FormulaC18H21ClFN3O3
Molecular Weight381.84 g/mol
Exact Mass381.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H21ClFN3O3/c1-10-14(17(25)23(5)9-13(24)21-18(2,3)4)16(22-26-10)15-11(19)7-6-8-12(15)20/h6-8H,9H2,1-5H3,(H,21,24)
InChIKeyIPKVPOLYTTYECR-UHFFFAOYSA-N
XLogP3.43
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chloro-6-fluorophenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 25163787
3-(2-chloro-6-fluorophenyl)-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 34755281
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 8964782
1-tert-butyl-3-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]thiourea
CID 9425522
3-(2-chloro-6-fluorophenyl)-5-methyl-N-prop-2-ynyl-1,2-oxazole-4-carboxamide
CID 5122625
N-(2-acetamidoethyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 35052691
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 31848455
3-(2-chloro-6-fluorophenyl)-N-methoxy-5-methyl-1,2-oxazole-4-carboxamide
CID 51279290
3-(2-chloro-6-fluorophenyl)-N-(3,5-dimethylphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52705090
3-(2-chloro-6-fluorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78855421
methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2775337
3-(2-chloro-6-fluorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-propyl-1,2-oxazole-4-carboxamide
CID 110887164

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 39966491) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is IPKVPOLYTTYECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O3/c1-10-14(17(25)23(5)9-13(24)21-18(2,3)4)16(22-26-10)15-11(19)7-6-8-12(15)20/h6-8H,9H2,1-5H3,(H,21,24).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39966491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).