7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide

C14H25N3O2 — CID 79235967

IUPAC7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide
SMILESCc1noc(C)c1C(C)NC(=O)CCCCCCN
InChIInChI=1S/C14H25N3O2/c1-10(14-11(2)17-19-12(14)3)16-13(18)8-6-4-5-7-9-15/h10H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyNFWVCWPJCXUQNF-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.38
Rot. Bonds8

About 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide

7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide (PubChem CID 79235967) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide
PubChem CID79235967
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide
SMILESCc1noc(C)c1C(C)NC(=O)CCCCCCN
InChIInChI=1S/C14H25N3O2/c1-10(14-11(2)17-19-12(14)3)16-13(18)8-6-4-5-7-9-15/h10H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyNFWVCWPJCXUQNF-UHFFFAOYSA-N
XLogP2.38
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.38
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-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-hydroxypentanamide
CID 79237770
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]propanamide
CID 79237007
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 79236273
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
2-(1-aminocyclopentyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 79236390
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
CID 119817299
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
2-(2-aminophenoxy)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 79224343
6-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexanamide
CID 105056271
2-(4-cyanophenyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 78961198
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide (CID 79235967) is 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide is Cc1noc(C)c1C(C)NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide?
The InChIKey is NFWVCWPJCXUQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(14-11(2)17-19-12(14)3)16-13(18)8-6-4-5-7-9-15/h10H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide?
7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide has a molecular weight of 267.37 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]heptanamide is sourced from PubChem (CID 79235967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).