7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide

C15H18F3N3O2 — CID 119748980

IUPAC7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)14-21-11-9-10(6-7-12(11)23-14)20-13(22)5-3-1-2-4-8-19/h6-7,9H,1-5,8,19H2,(H,20,22)
InChIKeyDTEZMESESOOLRP-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.69
Rot. Bonds7

About 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide

7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide (PubChem CID 119748980) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide
PubChem CID119748980
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)14-21-11-9-10(6-7-12(11)23-14)20-13(22)5-3-1-2-4-8-19/h6-7,9H,1-5,8,19H2,(H,20,22)
InChIKeyDTEZMESESOOLRP-UHFFFAOYSA-N
XLogP3.69
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.69
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

6-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)hexanamide
CID 60945929
7-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)heptanamide
CID 60946050
7-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]heptanamide;hydrochloride
CID 119815437
4-(aminomethyl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]oxane-4-carboxamide
CID 120927737
7-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]heptanamide
CID 119767457
4-amino-N-(2-tert-butyl-1,3-benzoxazol-5-yl)pentanamide
CID 120560417
1-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119748977
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
2-hydroxy-2-methyl-3-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]carbamoylamino]propanoic acid
CID 122078541
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]butanamide
CID 119303399
1-(5-hydroxypentan-2-yl)-3-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]urea
CID 75494987
cis-(1R,3S)-2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065416

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide?
The IUPAC name of 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide (CID 119748980) is 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide is NCCCCCCC(=O)Nc1ccc2oc(C(F)(F)F)nc2c1.
What is the InChIKey of 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide?
The InChIKey is DTEZMESESOOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)14-21-11-9-10(6-7-12(11)23-14)20-13(22)5-3-1-2-4-8-19/h6-7,9H,1-5,8,19H2,(H,20,22).
What are the key properties of 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide?
7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide has a molecular weight of 329.32 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]heptanamide is sourced from PubChem (CID 119748980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).