N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide

C10H16N2O2 — CID 110855367

IUPACN-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)(C)C)c1C
InChIInChI=1S/C10H16N2O2/c1-6-7(2)14-12-8(6)9(13)11-10(3,4)5/h1-5H3,(H,11,13)
InChIKeyCNYYDWJWSHWAEZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.82
Rot. Bonds1

About N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide

N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 110855367) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID110855367
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC(C)(C)C)c1C
InChIInChI=1S/C10H16N2O2/c1-6-7(2)14-12-8(6)9(13)11-10(3,4)5/h1-5H3,(H,11,13)
InChIKeyCNYYDWJWSHWAEZ-UHFFFAOYSA-N
XLogP1.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 7018551
4,5-dimethyl-1,2-oxazole-3-carboxylic acid
CID 7018552
3-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836475
2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836460
N-(4-acetylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110861160
N-(3,4-dimethylphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589954
4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 110860744
methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 15692973
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
(2S)-4-amino-2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]-4-oxobutanoic acid
CID 110836459
4,5-dimethyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2-oxazole-3-carboxamide
CID 171679224
N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864656

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide (CID 110855367) is N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC(C)(C)C)c1C.
What is the InChIKey of N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is CNYYDWJWSHWAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-7(2)14-12-8(6)9(13)11-10(3,4)5/h1-5H3,(H,11,13).
What are the key properties of N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide?
N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110855367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).