4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

C18H18N2O3 — CID 38466226

IUPAC4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H18N2O3/c1-18(2,3)12-6-4-11(5-7-12)16(21)19-13-8-9-15-14(10-13)20-17(22)23-15/h4-10H,1-3H3,(H,19,21)(H,20,22)
InChIKeyRXLHIFICWSFIAP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.67
Rot. Bonds2

About 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide

4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (PubChem CID 38466226) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
PubChem CID38466226
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C18H18N2O3/c1-18(2,3)12-6-4-11(5-7-12)16(21)19-13-8-9-15-14(10-13)20-17(22)23-15/h4-10H,1-3H3,(H,19,21)(H,20,22)
InChIKeyRXLHIFICWSFIAP-UHFFFAOYSA-N
XLogP3.67
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]ethyl]benzamide
CID 38467290
4-benzamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468547
4-methylsulfanyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38466944
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
1-oxido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridin-1-ium-4-carboxamide
CID 38466723
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-pyrrol-1-ylbenzamide
CID 38467191
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 37091487
3-methoxy-4-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 134019844
3-bromo-4-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607962
4-methoxy-3-methylsulfonyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 110607906
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 87015454
4-(1H-imidazol-5-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 166382068

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide (CID 38466226) is 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is RXLHIFICWSFIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-18(2,3)12-6-4-11(5-7-12)16(21)19-13-8-9-15-14(10-13)20-17(22)23-15/h4-10H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide?
4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 310.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 38466226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).