7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide

C18H25N3O2 — CID 119799002

IUPAC7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H25N3O2/c1-14(21-17(22)11-7-2-3-8-12-19)18-20-13-16(23-18)15-9-5-4-6-10-15/h4-6,9-10,13-14H,2-3,7-8,11-12,19H2,1H3,(H,21,22)
InChIKeyHWDIPIRNECWLBQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.43
Rot. Bonds9

About 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide

7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide (PubChem CID 119799002) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide
PubChem CID119799002
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H25N3O2/c1-14(21-17(22)11-7-2-3-8-12-19)18-20-13-16(23-18)15-9-5-4-6-10-15/h4-6,9-10,13-14H,2-3,7-8,11-12,19H2,1H3,(H,21,22)
InChIKeyHWDIPIRNECWLBQ-UHFFFAOYSA-N
XLogP3.43
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.43
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

4-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide
CID 119332446
4-amino-3-methoxy-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]butanamide;hydrochloride
CID 120593061
2-(2-methoxyethylamino)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]acetamide;hydrochloride
CID 119799043
2-amino-2-methyl-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pentanamide;hydrochloride
CID 119799047
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
N-methyl-1-(5-phenyl-1,3-oxazol-2-yl)ethanamine
CID 65181733
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
4-(methoxymethyl)-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]piperidine-4-carboxamide
CID 120635254
4-amino-N-[1-(4-phenylphenyl)ethyl]butanamide;hydrochloride
CID 119269129
[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
CID 71991023

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide (CID 119799002) is 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide is CC(NC(=O)CCCCCCN)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide?
The InChIKey is HWDIPIRNECWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(21-17(22)11-7-2-3-8-12-19)18-20-13-16(23-18)15-9-5-4-6-10-15/h4-6,9-10,13-14H,2-3,7-8,11-12,19H2,1H3,(H,21,22).
What are the key properties of 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide?
7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide has a molecular weight of 315.42 g/mol, XLogP of 3.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(5-phenyl-1,3-oxazol-2-yl)ethyl]heptanamide is sourced from PubChem (CID 119799002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).