N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide

C13H23N3O2 — CID 119429935

IUPACN-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NCCCNC)on1
InChIInChI=1S/C13H23N3O2/c1-4-10(5-2)11-9-12(18-16-11)13(17)15-8-6-7-14-3/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyQHKJQXMFPCMHQW-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.92
Rot. Bonds8

About N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide

N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide (PubChem CID 119429935) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
PubChem CID119429935
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
SMILESCCC(CC)c1cc(C(=O)NCCCNC)on1
InChIInChI=1S/C13H23N3O2/c1-4-10(5-2)11-9-12(18-16-11)13(17)15-8-6-7-14-3/h9-10,14H,4-8H2,1-3H3,(H,15,17)
InChIKeyQHKJQXMFPCMHQW-UHFFFAOYSA-N
XLogP1.92
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119547664
N-[(1-hydroxycyclobutyl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111539650
2,2-dimethyl-3-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119250422
4-[[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]methyl]benzoic acid
CID 119165631
N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111484714
2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 119225874
2-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 119199841
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 120603626
3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119212226
7-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]heptanoic acid
CID 119227538
N-[1-(aminomethyl)cyclopentyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119565191
3-pentan-3-yl-N-pyrazin-2-yl-1,2-oxazole-5-carboxamide
CID 86794715

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide (CID 119429935) is N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide is CCC(CC)c1cc(C(=O)NCCCNC)on1.
What is the InChIKey of N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
The InChIKey is QHKJQXMFPCMHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-10(5-2)11-9-12(18-16-11)13(17)15-8-6-7-14-3/h9-10,14H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide?
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 119429935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).