N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide

C11H19N3O2 — CID 119587854

IUPACN-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC(CN)CC(C)C
InChIInChI=1S/C11H19N3O2/c1-7(2)4-9(5-12)14-11(15)10-8(3)16-6-13-10/h6-7,9H,4-5,12H2,1-3H3,(H,14,15)
InChIKeyACZBDQDXSHVNLN-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.09
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide

N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 119587854) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID119587854
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NC(CN)CC(C)C
InChIInChI=1S/C11H19N3O2/c1-7(2)4-9(5-12)14-11(15)10-8(3)16-6-13-10/h6-7,9H,4-5,12H2,1-3H3,(H,14,15)
InChIKeyACZBDQDXSHVNLN-UHFFFAOYSA-N
XLogP1.09
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
5-methyl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-oxazole-4-carboxamide
CID 122568494
3-methyl-2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119348465
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 63888339
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
N-(1-amino-4-methylpentan-2-yl)isoquinoline-1-carboxamide;dihydrochloride
CID 119586830
N-(1-amino-4-methylpentan-2-yl)-2,4,6-trimethylbenzamide
CID 55243707
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethylfuran-2-carboxamide
CID 119586216
N-(1-amino-4-methylpentan-2-yl)pyrazine-2-carboxamide
CID 63888138
N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119588835

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide (CID 119587854) is N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NC(CN)CC(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is ACZBDQDXSHVNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)4-9(5-12)14-11(15)10-8(3)16-6-13-10/h6-7,9H,4-5,12H2,1-3H3,(H,14,15).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 119587854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).