N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

C14H22N2O2 — CID 171733325

IUPACN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CC2CC2)C(C)(C)C)no1
InChIInChI=1S/C14H22N2O2/c1-9-7-11(16-18-9)13(17)15-12(14(2,3)4)8-10-5-6-10/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyDPVYMMXDFDJDOV-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.93
Rot. Bonds4

About N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide

N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 171733325) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID171733325
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CC2CC2)C(C)(C)C)no1
InChIInChI=1S/C14H22N2O2/c1-9-7-11(16-18-9)13(17)15-12(14(2,3)4)8-10-5-6-10/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyDPVYMMXDFDJDOV-UHFFFAOYSA-N
XLogP2.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3,3-dimethyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 93054926
4,4,4-trifluoro-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 138057763
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-4-fluorobenzamide
CID 171733091
N-[(2R)-1-aminopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 104872804
N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42821216
N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95628579
5-methyl-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157356
tert-butyl (2R)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 81004390
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90498743
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
ethyl 2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 14676597

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 171733325) is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(CC2CC2)C(C)(C)C)no1.
What is the InChIKey of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DPVYMMXDFDJDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-11(16-18-9)13(17)15-12(14(2,3)4)8-10-5-6-10/h7,10,12H,5-6,8H2,1-4H3,(H,15,17).
What are the key properties of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171733325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).