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

C16H18N2O3 — CID 52907100

IUPACN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cc(-c2ccccc2)on1)C1CC1
InChIInChI=1S/C16H18N2O3/c1-16(20,12-7-8-12)10-17-15(19)13-9-14(21-18-13)11-5-3-2-4-6-11/h2-6,9,12,20H,7-8,10H2,1H3,(H,17,19)/t16-/m1/s1
InChIKeyLQTDTTPXVLSPPC-MRXNPFEDSA-N
MW286.33 g/mol
LogP2.23
Rot. Bonds5

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

N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 52907100) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID52907100
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESC[C@@](O)(CNC(=O)c1cc(-c2ccccc2)on1)C1CC1
InChIInChI=1S/C16H18N2O3/c1-16(20,12-7-8-12)10-17-15(19)13-9-14(21-18-13)11-5-3-2-4-6-11/h2-6,9,12,20H,7-8,10H2,1H3,(H,17,19)/t16-/m1/s1
InChIKeyLQTDTTPXVLSPPC-MRXNPFEDSA-N
XLogP2.23
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 111335201
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 96521382
N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51943596
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide
CID 99873884

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 52907100) is N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide is C[C@@](O)(CNC(=O)c1cc(-c2ccccc2)on1)C1CC1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is LQTDTTPXVLSPPC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(20,12-7-8-12)10-17-15(19)13-9-14(21-18-13)11-5-3-2-4-6-11/h2-6,9,12,20H,7-8,10H2,1H3,(H,17,19)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 52907100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).