cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide

C15H16N2O2 — CID 95150035

IUPACcis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H16N2O2/c1-10-7-13(10)15(18)16-9-12-8-14(19-17-12)11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3,(H,16,18)/t10-,13+/m1/s1
InChIKeyJJZBZHYYMHTQPE-MFKMUULPSA-N
MW256.31 g/mol
LogP2.61
Rot. Bonds4

About cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 95150035) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID95150035
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namecis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)NCc1cc(-c2ccccc2)on1
InChIInChI=1S/C15H16N2O2/c1-10-7-13(10)15(18)16-9-12-8-14(19-17-12)11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3,(H,16,18)/t10-,13+/m1/s1
InChIKeyJJZBZHYYMHTQPE-MFKMUULPSA-N
XLogP2.61
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
N-[[5-(4-phenylphenyl)-1,2-oxazol-3-yl]methyl]adamantane-1-carboxamide
CID 16867478
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
(1R,6S)-6-[(5-phenyl-1,2-oxazol-3-yl)methylamino]cyclohex-3-ene-1-carboxylic acid
CID 167840679
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 134127778
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide
CID 154743624
(3S)-1-(4-methylphenyl)-5-oxo-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 42477859
1-[(1-hydroxycyclopentyl)methyl]-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111104199

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide (CID 95150035) is cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)NCc1cc(-c2ccccc2)on1.
What is the InChIKey of cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is JJZBZHYYMHTQPE-MFKMUULPSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-7-13(10)15(18)16-9-12-8-14(19-17-12)11-5-3-2-4-6-11/h2-6,8,10,13H,7,9H2,1H3,(H,16,18)/t10-,13+/m1/s1.
What are the key properties of cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95150035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).