2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride

C17H24ClN3O2 — CID 119742600

IUPAC2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-5-9-17(4,18)16(21)20-14-8-6-7-13(10-14)15-19-11(2)12(3)22-15;/h6-8,10H,5,9,18H2,1-4H3,(H,20,21);1H
InChIKeyCLEPWJJNPZGMEQ-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.84
Rot. Bonds5

About 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride

2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride (PubChem CID 119742600) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride
PubChem CID119742600
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-5-9-17(4,18)16(21)20-14-8-6-7-13(10-14)15-19-11(2)12(3)22-15;/h6-8,10H,5,9,18H2,1-4H3,(H,20,21);1H
InChIKeyCLEPWJJNPZGMEQ-UHFFFAOYSA-N
XLogP3.84
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-bromophenyl)-2-methylpentanamide
CID 60847337
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-propan-2-ylurea
CID 47386584
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 60577786
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
CID 119770554
N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-4-(methylamino)butanamide
CID 119742561
1-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119299864
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701089
4,5-dibromo-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 55856132
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
1-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-3-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]urea
CID 95635616
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
3-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077622

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride (CID 119742600) is 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride?
The InChIKey is CLEPWJJNPZGMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-5-9-17(4,18)16(21)20-14-8-6-7-13(10-14)15-19-11(2)12(3)22-15;/h6-8,10H,5,9,18H2,1-4H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride?
2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119742600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).