2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide

C20H29N3O2 — CID 119314299

IUPAC2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
SMILESCCCC(N)C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H29N3O2/c1-3-10-18(21)20(24)23(2)14-9-5-8-13-17-15-19(22-25-17)16-11-6-4-7-12-16/h4,6-7,11-12,15,18H,3,5,8-10,13-14,21H2,1-2H3
InChIKeyXZWKKQOYHURIAC-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.64
Rot. Bonds10

About 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide

2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide (PubChem CID 119314299) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
PubChem CID119314299
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide
SMILESCCCC(N)C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C20H29N3O2/c1-3-10-18(21)20(24)23(2)14-9-5-8-13-17-15-19(22-25-17)16-11-6-4-7-12-16/h4,6-7,11-12,15,18H,3,5,8-10,13-14,21H2,1-2H3
InChIKeyXZWKKQOYHURIAC-UHFFFAOYSA-N
XLogP3.64
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-2-(oxan-4-yl)-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]acetamide;hydrochloride
CID 120791531
2-(aminomethyl)-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119767662
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-4-carboxamide;hydrochloride
CID 119314286
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
N-methyl-2-phenyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]-2-pyrrolidin-1-ylacetamide
CID 56513346
(2S)-2-(cyclopropylmethoxy)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide
CID 95280776
4-ethoxy-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]butanamide
CID 51106000
3-(2-aminophenyl)-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]propanamide;hydrochloride
CID 120610036
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]piperidine-3-carboxamide
CID 119314301
4-(aminomethyl)-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylbenzamide
CID 119308944

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide?
The IUPAC name of 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide (CID 119314299) is 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide?
The canonical SMILES for 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide is CCCC(N)C(=O)N(C)CCCCCc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide?
The InChIKey is XZWKKQOYHURIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-10-18(21)20(24)23(2)14-9-5-8-13-17-15-19(22-25-17)16-11-6-4-7-12-16/h4,6-7,11-12,15,18H,3,5,8-10,13-14,21H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide?
2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide has a molecular weight of 343.47 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]pentanamide is sourced from PubChem (CID 119314299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).