N-tert-butyl-1,3-benzoxazole-5-carboxamide

C12H14N2O2 — CID 110388151

IUPACN-tert-butyl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2ocnc2c1
InChIInChI=1S/C12H14N2O2/c1-12(2,3)14-11(15)8-4-5-10-9(6-8)13-7-16-10/h4-7H,1-3H3,(H,14,15)
InChIKeySQYKLTMLMBHRDF-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.36
Rot. Bonds1

About N-tert-butyl-1,3-benzoxazole-5-carboxamide

N-tert-butyl-1,3-benzoxazole-5-carboxamide (PubChem CID 110388151) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-tert-butyl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1,3-benzoxazole-5-carboxamide
PubChem CID110388151
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-tert-butyl-1,3-benzoxazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2ocnc2c1
InChIInChI=1S/C12H14N2O2/c1-12(2,3)14-11(15)8-4-5-10-9(6-8)13-7-16-10/h4-7H,1-3H3,(H,14,15)
InChIKeySQYKLTMLMBHRDF-UHFFFAOYSA-N
XLogP2.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzoxazol-5-yl)propan-1-one
CID 119084710
N-(5-hydroxypentyl)-1,3-benzoxazole-5-carboxamide
CID 108795171
N-(4-anilinophenyl)-1,3-benzoxazole-5-carboxamide
CID 108795166
N-tert-butyldibenzo-p-dioxin-2-carboxamide
CID 101091917
N-(3-methoxyphenyl)-1,3-benzoxazole-5-carboxamide
CID 110388202
2-(1,3-benzoxazole-5-carbonylamino)hexanoic acid
CID 108795182
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
1-(1,3-benzoxazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 90363778
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
(hydroxyamino)methyl 1,3-benzoxazole-5-carboxylate
CID 10130491
N-(4-cyano-1-methylpyrazol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 108806769
methyl 4-(1,3-benzoxazole-5-carbonyl)piperazine-1-carboxylate
CID 110399443

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-tert-butyl-1,3-benzoxazole-5-carboxamide (CID 110388151) is N-tert-butyl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-1,3-benzoxazole-5-carboxamide is CC(C)(C)NC(=O)c1ccc2ocnc2c1.
What is the InChIKey of N-tert-butyl-1,3-benzoxazole-5-carboxamide?
The InChIKey is SQYKLTMLMBHRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,3)14-11(15)8-4-5-10-9(6-8)13-7-16-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-1,3-benzoxazole-5-carboxamide?
N-tert-butyl-1,3-benzoxazole-5-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110388151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).