5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide

C16H20N2O4 — CID 96567152

IUPAC5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc([C@](C)(O)CNC(=O)c2cc(C3CC3)on2)c(C)o1
InChIInChI=1S/C16H20N2O4/c1-9-6-12(10(2)21-9)16(3,20)8-17-15(19)13-7-14(22-18-13)11-4-5-11/h6-7,11,20H,4-5,8H2,1-3H3,(H,17,19)/t16-/m1/s1
InChIKeyDAORLKVFTAMNHO-MRXNPFEDSA-N
MW304.35 g/mol
LogP2.40
Rot. Bonds5

About 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide (PubChem CID 96567152) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
PubChem CID96567152
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc([C@](C)(O)CNC(=O)c2cc(C3CC3)on2)c(C)o1
InChIInChI=1S/C16H20N2O4/c1-9-6-12(10(2)21-9)16(3,20)8-17-15(19)13-7-14(22-18-13)11-4-5-11/h6-7,11,20H,4-5,8H2,1-3H3,(H,17,19)/t16-/m1/s1
InChIKeyDAORLKVFTAMNHO-MRXNPFEDSA-N
XLogP2.40
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide
CID 113239583
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 111474644
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-methylcyclohexane-1-carboxamide
CID 111479183
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 111479234
1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol
CID 111467688
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
5-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61023267
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide (CID 96567152) is 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide is Cc1cc([C@](C)(O)CNC(=O)c2cc(C3CC3)on2)c(C)o1.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DAORLKVFTAMNHO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-9-6-12(10(2)21-9)16(3,20)8-17-15(19)13-7-14(22-18-13)11-4-5-11/h6-7,11,20H,4-5,8H2,1-3H3,(H,17,19)/t16-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 96567152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).