N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide

C28H35FN4O4 — CID 167000464

IUPACN-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide
SMILESCOc1cc2c(OC)cccc2cc1C(=O)N[C@](C)(CCC/N=C(/N)CF)c1ncc(C2CCCC2)o1
InChIInChI=1S/C28H35FN4O4/c1-28(12-7-13-31-25(30)16-29,27-32-17-24(37-27)18-8-4-5-9-18)33-26(34)21-14-19-10-6-11-22(35-2)20(19)15-23(21)36-3/h6,10-11,14-15,17-18H,4-5,7-9,12-13,16H2,1-3H3,(H2,30,31)(H,33,34)/t28-/m1/s1
InChIKeyCASNIPFKJQUXNV-MUUNZHRXSA-N
MW510.61 g/mol
LogP5.25
Rot. Bonds11

About N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide

N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide (PubChem CID 167000464) has the molecular formula C28H35FN4O4 and a molecular weight of 510.61 g/mol. Its IUPAC name is N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide
PubChem CID167000464
Molecular FormulaC28H35FN4O4
Molecular Weight510.61 g/mol
Exact Mass510.26
IUPAC NameN-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide
SMILESCOc1cc2c(OC)cccc2cc1C(=O)N[C@](C)(CCC/N=C(/N)CF)c1ncc(C2CCCC2)o1
InChIInChI=1S/C28H35FN4O4/c1-28(12-7-13-31-25(30)16-29,27-32-17-24(37-27)18-8-4-5-9-18)33-26(34)21-14-19-10-6-11-22(35-2)20(19)15-23(21)36-3/h6,10-11,14-15,17-18H,4-5,7-9,12-13,16H2,1-3H3,(H2,30,31)(H,33,34)/t28-/m1/s1
InChIKeyCASNIPFKJQUXNV-MUUNZHRXSA-N
XLogP5.25
TPSA111.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide (CID 167000464) is N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide is COc1cc2c(OC)cccc2cc1C(=O)N[C@](C)(CCC/N=C(/N)CF)c1ncc(C2CCCC2)o1.
What is the InChIKey of N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide?
The InChIKey is CASNIPFKJQUXNV-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H35FN4O4/c1-28(12-7-13-31-25(30)16-29,27-32-17-24(37-27)18-8-4-5-9-18)33-26(34)21-14-19-10-6-11-22(35-2)20(19)15-23(21)36-3/h6,10-11,14-15,17-18H,4-5,7-9,12-13,16H2,1-3H3,(H2,30,31)(H,33,34)/t28-/m1/s1.
What are the key properties of N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide?
N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide has a molecular weight of 510.61 g/mol, XLogP of 5.25, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-[(1-amino-2-fluoroethylidene)amino]-2-(5-cyclopentyl-1,3-oxazol-2-yl)pentan-2-yl]-3,5-dimethoxynaphthalene-2-carboxamide is sourced from PubChem (CID 167000464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).