trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide

C16H18N2O3 — CID 95784712

IUPACtrans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H]2C[C@@H]2C(=O)NCc2ncc(C)o2)c1
InChIInChI=1S/C16H18N2O3/c1-10-8-17-15(21-10)9-18-16(19)14-7-13(14)11-4-3-5-12(6-11)20-2/h3-6,8,13-14H,7,9H2,1-2H3,(H,18,19)/t13-,14+/m1/s1
InChIKeyPFBMHVIXUCEKDH-KGLIPLIRSA-N
MW286.33 g/mol
LogP2.41
Rot. Bonds5

About trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 95784712) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID95784712
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nametrans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H]2C[C@@H]2C(=O)NCc2ncc(C)o2)c1
InChIInChI=1S/C16H18N2O3/c1-10-8-17-15(21-10)9-18-16(19)14-7-13(14)11-4-3-5-12(6-11)20-2/h3-6,8,13-14H,7,9H2,1-2H3,(H,18,19)/t13-,14+/m1/s1
InChIKeyPFBMHVIXUCEKDH-KGLIPLIRSA-N
XLogP2.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(3,4-difluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 71863788
2-[[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245016
N-[(2-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111464372
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111107167
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111433093
2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 49156347
4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 103822240
2-[2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]ethylsulfanyl]acetic acid
CID 119241986
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
cis-(1S,2R)-N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 98771169
2-hydroxy-4-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzamide
CID 103722993
2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
CID 119231558

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 95784712) is trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide is COc1cccc([C@H]2C[C@@H]2C(=O)NCc2ncc(C)o2)c1.
What is the InChIKey of trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is PFBMHVIXUCEKDH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-8-17-15(21-10)9-18-16(19)14-7-13(14)11-4-3-5-12(6-11)20-2/h3-6,8,13-14H,7,9H2,1-2H3,(H,18,19)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95784712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).