4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide

C19H19FN4O2 — CID 23605340

IUPAC4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C19H19FN4O2/c20-13-4-3-5-15(12-13)22-19(25)24-10-8-14(9-11-24)21-18-23-16-6-1-2-7-17(16)26-18/h1-7,12,14H,8-11H2,(H,21,23)(H,22,25)
InChIKeyJFCOATHJHFVTRA-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.08
Rot. Bonds3

About 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide

4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide (PubChem CID 23605340) has the molecular formula C19H19FN4O2 and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide
PubChem CID23605340
Molecular FormulaC19H19FN4O2
Molecular Weight354.38 g/mol
Exact Mass354.15
IUPAC Name4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCC(Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C19H19FN4O2/c20-13-4-3-5-15(12-13)22-19(25)24-10-8-14(9-11-24)21-18-23-16-6-1-2-7-17(16)26-18/h1-7,12,14H,8-11H2,(H,21,23)(H,22,25)
InChIKeyJFCOATHJHFVTRA-UHFFFAOYSA-N
XLogP4.08
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 23605637
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
4-(1,3-benzoxazol-2-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 52999883
[(3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 154850271
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
tert-butyl (3S)-3-(1,3-benzoxazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629265
4-(2-aminophenyl)-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 170456870
[(3R)-3-(1,3-benzoxazol-2-ylamino)piperidin-1-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 126746495
4-[[5-(cyclobutanecarbonylamino)-1,3-benzoxazol-2-yl]amino]piperidine-1-carboxylic acid
CID 143288804

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide (CID 23605340) is 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCC(Nc2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is JFCOATHJHFVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-13-4-3-5-15(12-13)22-19(25)24-10-8-14(9-11-24)21-18-23-16-6-1-2-7-17(16)26-18/h1-7,12,14H,8-11H2,(H,21,23)(H,22,25).
What are the key properties of 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylamino)-N-(3-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 23605340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).