N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide

C8H13N3O2 — CID 83617615

IUPACN-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)NC(C)CN)o1
InChIInChI=1S/C8H13N3O2/c1-5(3-9)11-8(12)7-4-10-6(2)13-7/h4-5H,3,9H2,1-2H3,(H,11,12)
InChIKeyKVVIHTSRPDXUSE-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.06
Rot. Bonds3

About N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide

N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 83617615) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID83617615
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncc(C(=O)NC(C)CN)o1
InChIInChI=1S/C8H13N3O2/c1-5(3-9)11-8(12)7-4-10-6(2)13-7/h4-5H,3,9H2,1-2H3,(H,11,12)
InChIKeyKVVIHTSRPDXUSE-UHFFFAOYSA-N
XLogP0.06
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide (CID 83617615) is N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide is Cc1ncc(C(=O)NC(C)CN)o1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is KVVIHTSRPDXUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(3-9)11-8(12)7-4-10-6(2)13-7/h4-5H,3,9H2,1-2H3,(H,11,12).
What are the key properties of N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide?
N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 83617615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).