4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide

C19H20FN5O2 — CID 174195286

IUPAC4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc2c(CNC(=O)N3CCN(c4ccncc4F)CC3)cccc2o1
InChIInChI=1S/C19H20FN5O2/c1-13-23-18-14(3-2-4-17(18)27-13)11-22-19(26)25-9-7-24(8-10-25)16-5-6-21-12-15(16)20/h2-6,12H,7-11H2,1H3,(H,22,26)
InChIKeyTXBAXHFZLIUUSI-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.70
Rot. Bonds3

About 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide

4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 174195286) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID174195286
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc2c(CNC(=O)N3CCN(c4ccncc4F)CC3)cccc2o1
InChIInChI=1S/C19H20FN5O2/c1-13-23-18-14(3-2-4-17(18)27-13)11-22-19(26)25-9-7-24(8-10-25)16-5-6-21-12-15(16)20/h2-6,12H,7-11H2,1H3,(H,22,26)
InChIKeyTXBAXHFZLIUUSI-UHFFFAOYSA-N
XLogP2.70
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1-benzofuran-4-yl)methyl]piperazine-1-carboxamide
CID 174195240
4-(3-fluoro-4-pyridinyl)-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 155749578
N-(1-benzofuran-4-ylmethyl)-4-(3-fluoro-4-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 166049434
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
N-[(1S)-1-(2-chloro-3-fluorophenyl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 174195525
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 119069802
N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]-4-(3-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 155438968
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 122571012
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide;4-(3-fluoro-4-pyridinyl)-N-[(1S)-1-(1-methylindol-7-yl)ethyl]piperazine-1-carboxamide
CID 167682098
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
1-(3-fluoro-4-pyridinyl)-4-prop-1-en-2-ylpiperazine
CID 155454771

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide (CID 174195286) is 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide is Cc1nc2c(CNC(=O)N3CCN(c4ccncc4F)CC3)cccc2o1.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is TXBAXHFZLIUUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-13-23-18-14(3-2-4-17(18)27-13)11-22-19(26)25-9-7-24(8-10-25)16-5-6-21-12-15(16)20/h2-6,12H,7-11H2,1H3,(H,22,26).
What are the key properties of 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide?
4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-N-[(2-methyl-1,3-benzoxazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 174195286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).