N-(1,3-oxazol-5-ylmethyl)propan-2-amine

C7H12N2O — CID 58786923

IUPACN-(1,3-oxazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cnco1
InChIInChI=1S/C7H12N2O/c1-6(2)9-4-7-3-8-5-10-7/h3,5-6,9H,4H2,1-2H3
InChIKeyRDSWDCNZNUQIBG-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.17
Rot. Bonds3

About N-(1,3-oxazol-5-ylmethyl)propan-2-amine

N-(1,3-oxazol-5-ylmethyl)propan-2-amine (PubChem CID 58786923) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(1,3-oxazol-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,3-oxazol-5-ylmethyl)propan-2-amine
PubChem CID58786923
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(1,3-oxazol-5-ylmethyl)propan-2-amine
SMILESCC(C)NCc1cnco1
InChIInChI=1S/C7H12N2O/c1-6(2)9-4-7-3-8-5-10-7/h3,5-6,9H,4H2,1-2H3
InChIKeyRDSWDCNZNUQIBG-UHFFFAOYSA-N
XLogP1.17
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-5-ylmethyl)propan-2-amine?
The IUPAC name of N-(1,3-oxazol-5-ylmethyl)propan-2-amine (CID 58786923) is N-(1,3-oxazol-5-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1,3-oxazol-5-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1,3-oxazol-5-ylmethyl)propan-2-amine is CC(C)NCc1cnco1.
What is the InChIKey of N-(1,3-oxazol-5-ylmethyl)propan-2-amine?
The InChIKey is RDSWDCNZNUQIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)9-4-7-3-8-5-10-7/h3,5-6,9H,4H2,1-2H3.
What are the key properties of N-(1,3-oxazol-5-ylmethyl)propan-2-amine?
N-(1,3-oxazol-5-ylmethyl)propan-2-amine has a molecular weight of 140.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 58786923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).