N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide

C16H19FN4O3 — CID 45255722

IUPACN-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide
SMILESNc1cc(F)ccc1NC(=O)CCCCCC(=O)Nc1ccon1
InChIInChI=1S/C16H19FN4O3/c17-11-6-7-13(12(18)10-11)19-15(22)4-2-1-3-5-16(23)20-14-8-9-24-21-14/h6-10H,1-5,18H2,(H,19,22)(H,20,21,23)
InChIKeyRCCXELUCGDFQTD-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.92
Rot. Bonds8

About N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide

N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide (PubChem CID 45255722) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide
PubChem CID45255722
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide
SMILESNc1cc(F)ccc1NC(=O)CCCCCC(=O)Nc1ccon1
InChIInChI=1S/C16H19FN4O3/c17-11-6-7-13(12(18)10-11)19-15(22)4-2-1-3-5-16(23)20-14-8-9-24-21-14/h6-10H,1-5,18H2,(H,19,22)(H,20,21,23)
InChIKeyRCCXELUCGDFQTD-UHFFFAOYSA-N
XLogP2.92
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1,2-oxazol-3-yl)butanamide
CID 62903598
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
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CID 28776827
N-(2-amino-4-fluorophenyl)-4-(2-methylpropylsulfanyl)butanamide
CID 28982231
N-(2-amino-4-fluorophenyl)-3-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198146
N-(2-amino-4-fluorophenyl)-4-(oxan-4-ylsulfanyl)butanamide
CID 62994992
N-(2-amino-4-fluorophenyl)-4-[methoxy(methyl)amino]butanamide
CID 43627663
N-(2-amino-4-fluorophenyl)-3-(dimethylamino)propanamide
CID 16790935
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
2-(2,4-difluorophenoxy)-N-(1,2-oxazol-3-yl)acetamide
CID 17250313
N'-(2-amino-4-tert-butylphenyl)-N-(4-fluorophenyl)heptanediamide
CID 45255100
N-(2-amino-4-fluorophenyl)-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butanamide
CID 106922142

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide (CID 45255722) is N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide is Nc1cc(F)ccc1NC(=O)CCCCCC(=O)Nc1ccon1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide?
The InChIKey is RCCXELUCGDFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-11-6-7-13(12(18)10-11)19-15(22)4-2-1-3-5-16(23)20-14-8-9-24-21-14/h6-10H,1-5,18H2,(H,19,22)(H,20,21,23).
What are the key properties of N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide?
N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide has a molecular weight of 334.35 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-N'-(1,2-oxazol-3-yl)heptanediamide is sourced from PubChem (CID 45255722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).