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

C11H19N3O2 — CID 63888339

IUPACN-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CN)CC(C)C)no1
InChIInChI=1S/C11H19N3O2/c1-7(2)4-9(6-12)13-11(15)10-5-8(3)16-14-10/h5,7,9H,4,6,12H2,1-3H3,(H,13,15)
InChIKeyOHDQHKYVDOVDBS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.09
Rot. Bonds5

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

N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 63888339) 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-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID63888339
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CN)CC(C)C)no1
InChIInChI=1S/C11H19N3O2/c1-7(2)4-9(6-12)13-11(15)10-5-8(3)16-14-10/h5,7,9H,4,6,12H2,1-3H3,(H,13,15)
InChIKeyOHDQHKYVDOVDBS-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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide (CID 63888339) is N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC(CN)CC(C)C)no1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is OHDQHKYVDOVDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)4-9(6-12)13-11(15)10-5-8(3)16-14-10/h5,7,9H,4,6,12H2,1-3H3,(H,13,15).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-5-methyl-1,2-oxazole-3-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-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 63888339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).