N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

C20H21FN4O2 — CID 53078519

IUPACN-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc2nc(CN3CCN(C(=O)Nc4ccccc4F)CC3)oc2c1
InChIInChI=1S/C20H21FN4O2/c1-14-6-7-17-18(12-14)27-19(22-17)13-24-8-10-25(11-9-24)20(26)23-16-5-3-2-4-15(16)21/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyFQOQITVJSMZSIU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.63
Rot. Bonds3

About N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 53078519) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID53078519
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccc2nc(CN3CCN(C(=O)Nc4ccccc4F)CC3)oc2c1
InChIInChI=1S/C20H21FN4O2/c1-14-6-7-17-18(12-14)27-19(22-17)13-24-8-10-25(11-9-24)20(26)23-16-5-3-2-4-15(16)21/h2-7,12H,8-11,13H2,1H3,(H,23,26)
InChIKeyFQOQITVJSMZSIU-UHFFFAOYSA-N
XLogP3.63
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 93072289
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 53078506
N-(3-chloro-2-methylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000017
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 86907151
4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 53078522
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000002
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 53078509
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 52999925
4-(1,3-benzoxazol-2-ylmethyl)-N-(3-bromophenyl)piperazine-1-carboxamide
CID 52999883
2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]piperazin-1-yl]methyl]-N,N-dimethyl-1,3-benzoxazole-5-carboxamide
CID 46383285

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (CID 53078519) is N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is Cc1ccc2nc(CN3CCN(C(=O)Nc4ccccc4F)CC3)oc2c1.
What is the InChIKey of N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is FQOQITVJSMZSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-14-6-7-17-18(12-14)27-19(22-17)13-24-8-10-25(11-9-24)20(26)23-16-5-3-2-4-15(16)21/h2-7,12H,8-11,13H2,1H3,(H,23,26).
What are the key properties of N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53078519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).