N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride

C18H25ClN4O3 — CID 120603626

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCCC(CC)c1cc(C(=O)Nc2ccccc2C(=O)NCCN)on1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-3-12(4-2)15-11-16(25-22-15)18(24)21-14-8-6-5-7-13(14)17(23)20-10-9-19;/h5-8,11-12H,3-4,9-10,19H2,1-2H3,(H,20,23)(H,21,24);1H
InChIKeyYFYPGHSUNFAINC-UHFFFAOYSA-N
MW380.88 g/mol
LogP2.94
Rot. Bonds8

About N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride

N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride (PubChem CID 120603626) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
PubChem CID120603626
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
SMILESCCC(CC)c1cc(C(=O)Nc2ccccc2C(=O)NCCN)on1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-3-12(4-2)15-11-16(25-22-15)18(24)21-14-8-6-5-7-13(14)17(23)20-10-9-19;/h5-8,11-12H,3-4,9-10,19H2,1-2H3,(H,20,23)(H,21,24);1H
InChIKeyYFYPGHSUNFAINC-UHFFFAOYSA-N
XLogP2.94
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
N-[2-(4-aminophenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119547664
N-[2-(2-aminoethylcarbamoyl)phenyl]-5-bromofuran-2-carboxamide
CID 106999674
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119429935
N-[2-(2-aminoethylcarbamoyl)phenyl]-2-chlorofuran-3-carboxamide
CID 106999665
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911360
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 120604147
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
N-(2-aminoethyl)-2-[[2-[methyl(propan-2-yl)amino]acetyl]amino]benzamide;dihydrochloride
CID 120603824

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride (CID 120603626) is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride is CCC(CC)c1cc(C(=O)Nc2ccccc2C(=O)NCCN)on1.Cl.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride?
The InChIKey is YFYPGHSUNFAINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c1-3-12(4-2)15-11-16(25-22-15)18(24)21-14-8-6-5-7-13(14)17(23)20-10-9-19;/h5-8,11-12H,3-4,9-10,19H2,1-2H3,(H,20,23)(H,21,24);1H.
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride?
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120603626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).