cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide

C14H14N2O2 — CID 2166198

IUPACcis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)no1
InChIInChI=1S/C14H14N2O2/c1-9-7-13(16-18-9)15-14(17)12-8-11(12)10-5-3-2-4-6-10/h2-7,11-12H,8H2,1H3,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyPSRQPFSQPUKINL-VXGBXAGGSA-N
MW242.28 g/mol
LogP2.73
Rot. Bonds3

About cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide

cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2166198) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2166198
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namecis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)no1
InChIInChI=1S/C14H14N2O2/c1-9-7-13(16-18-9)15-14(17)12-8-11(12)10-5-3-2-4-6-10/h2-7,11-12H,8H2,1H3,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyPSRQPFSQPUKINL-VXGBXAGGSA-N
XLogP2.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-phenylcyclobutane-1-carboxamide
CID 154775274
trans-(1R,2R)-N-[(2S)-butan-2-yl]-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 11903460
2-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2862512
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137458
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109144136
1-N-tert-butyl-2-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109139692
2-N-cyclopropyl-1-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1,2-dicarboxamide
CID 109131011
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
(1R,2S,4S)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6593221
N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 115624549
(1S,2S,4R)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 1205649

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide (CID 2166198) is cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide is Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)no1.
What is the InChIKey of cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is PSRQPFSQPUKINL-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-7-13(16-18-9)15-14(17)12-8-11(12)10-5-3-2-4-6-10/h2-7,11-12H,8H2,1H3,(H,15,16,17)/t11-,12-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2166198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).