N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide

C28H29N3O5 — CID 24880404

IUPACN-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(CNC(=O)c3ccco3)on2)c1
InChIInChI=1S/C28H29N3O5/c1-17-8-10-19(30-26(32)22-13-18(28(2,3)4)9-11-24(22)34-5)14-21(17)23-15-20(36-31-23)16-29-27(33)25-7-6-12-35-25/h6-15H,16H2,1-5H3,(H,29,33)(H,30,32)
InChIKeyOMXUEKUOUJQDDC-UHFFFAOYSA-N
MW487.56 g/mol
LogP5.73
Rot. Bonds7

About N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide

N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide (PubChem CID 24880404) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
PubChem CID24880404
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC NameN-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(CNC(=O)c3ccco3)on2)c1
InChIInChI=1S/C28H29N3O5/c1-17-8-10-19(30-26(32)22-13-18(28(2,3)4)9-11-24(22)34-5)14-21(17)23-15-20(36-31-23)16-29-27(33)25-7-6-12-35-25/h6-15H,16H2,1-5H3,(H,29,33)(H,30,32)
InChIKeyOMXUEKUOUJQDDC-UHFFFAOYSA-N
XLogP5.73
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 24880973
5-tert-butyl-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 110761322
N-[(3-tert-butyl-4-methoxyphenyl)methyl]furan-2-carboxamide
CID 110780466
5-tert-butyl-2-methoxy-N-[6-methyl-5-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]-3-pyridinyl]benzamide
CID 24937958
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193
N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9269646
N-(3-hydroxy-4-methoxyphenyl)furan-2-carboxamide
CID 56690057
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 110443382
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]furan-2-carboxamide
CID 110781838
N-[(2,4-dimethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110783199

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide (CID 24880404) is N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide is COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(CNC(=O)c3ccco3)on2)c1.
What is the InChIKey of N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide?
The InChIKey is OMXUEKUOUJQDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-17-8-10-19(30-26(32)22-13-18(28(2,3)4)9-11-24(22)34-5)14-21(17)23-15-20(36-31-23)16-29-27(33)25-7-6-12-35-25/h6-15H,16H2,1-5H3,(H,29,33)(H,30,32).
What are the key properties of N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide?
N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-[(5-tert-butyl-2-methoxybenzoyl)amino]-2-methylphenyl]-1,2-oxazol-5-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 24880404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).