trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide

C16H18N2O2 — CID 97314365

IUPACtrans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-10-15(11(2)20-18-10)9-17-16(19)14-8-13(14)12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyNBJBOTVCWRWRMD-KGLIPLIRSA-N
MW270.33 g/mol
LogP2.71
Rot. Bonds4

About trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 97314365) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID97314365
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Nametrans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C16H18N2O2/c1-10-15(11(2)20-18-10)9-17-16(19)14-8-13(14)12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyNBJBOTVCWRWRMD-KGLIPLIRSA-N
XLogP2.71
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]-2-phenylcyclopropane-1-carboxylic acid
CID 166258805
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 79237456
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79231898
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198
trans-(1R,2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131417
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
cis-(1R,2S)-N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 92903083
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
CID 47935404
trans-(1R,2R)-N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 35521016

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 97314365) is trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide is Cc1noc(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is NBJBOTVCWRWRMD-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-15(11(2)20-18-10)9-17-16(19)14-8-13(14)12-6-4-3-5-7-12/h3-7,13-14H,8-9H2,1-2H3,(H,17,19)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 97314365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).