N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride

C15H18ClN3O2 — CID 119529507

IUPACN-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)c1cc(C2CC2)on1)c1ccccc1
InChIInChI=1S/C15H17N3O2.ClH/c16-12(10-4-2-1-3-5-10)9-17-15(19)13-8-14(20-18-13)11-6-7-11;/h1-5,8,11-12H,6-7,9,16H2,(H,17,19);1H
InChIKeyVNBLCPWVTYKYAQ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.40
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride

N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119529507) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119529507
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.NC(CNC(=O)c1cc(C2CC2)on1)c1ccccc1
InChIInChI=1S/C15H17N3O2.ClH/c16-12(10-4-2-1-3-5-10)9-17-15(19)13-8-14(20-18-13)11-6-7-11;/h1-5,8,11-12H,6-7,9,16H2,(H,17,19);1H
InChIKeyVNBLCPWVTYKYAQ-UHFFFAOYSA-N
XLogP2.40
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 119245413
2-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]-3-naphthalen-1-ylpropanoic acid
CID 119245551
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 60553549
5-cyclopropyl-N-phenylmethoxy-1,2-oxazole-3-carboxamide
CID 32581167
5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 96997695
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
5-cyclopropyl-N-[1-(2-hydroxy-1-phenylethyl)azetidin-3-yl]-1,2-oxazole-3-carboxamide
CID 129314817
N-[3-(3-chlorophenyl)-3-hydroxypropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 91624378
5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42892858
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
5-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2-oxazole-3-carboxamide
CID 126441100
5-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130287

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride (CID 119529507) is N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride is Cl.NC(CNC(=O)c1cc(C2CC2)on1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is VNBLCPWVTYKYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.ClH/c16-12(10-4-2-1-3-5-10)9-17-15(19)13-8-14(20-18-13)11-6-7-11;/h1-5,8,11-12H,6-7,9,16H2,(H,17,19);1H.
What are the key properties of N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride?
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 307.78 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119529507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).