N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

C18H19N5O2 — CID 893544

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1nc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc2o1
InChIInChI=1S/C18H19N5O2/c1-13-20-15-12-14(5-6-16(15)25-13)21-18(24)23-10-8-22(9-11-23)17-4-2-3-7-19-17/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyACWIYZRSFROFGC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.89
Rot. Bonds2

About N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 893544) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID893544
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCc1nc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc2o1
InChIInChI=1S/C18H19N5O2/c1-13-20-15-12-14(5-6-16(15)25-13)21-18(24)23-10-8-22(9-11-23)17-4-2-3-7-19-17/h2-7,12H,8-11H2,1H3,(H,21,24)
InChIKeyACWIYZRSFROFGC-UHFFFAOYSA-N
XLogP2.89
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 778358
4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
CID 126341158
N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 894053
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108872350
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 71915800
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 893544) is N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is Cc1nc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is ACWIYZRSFROFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-20-15-12-14(5-6-16(15)25-13)21-18(24)23-10-8-22(9-11-23)17-4-2-3-7-19-17/h2-7,12H,8-11H2,1H3,(H,21,24).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 893544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).