(4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone

C18H18N4O2 — CID 134799167

IUPAC(4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3nc(-c4cccnc4)oc3c2)CC1
InChIInChI=1S/C18H18N4O2/c1-21-7-9-22(10-8-21)18(23)13-4-5-15-16(11-13)24-17(20-15)14-3-2-6-19-12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyZGOZZPYQFAXXPG-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.28
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone

(4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone (PubChem CID 134799167) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone
PubChem CID134799167
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3nc(-c4cccnc4)oc3c2)CC1
InChIInChI=1S/C18H18N4O2/c1-21-7-9-22(10-8-21)18(23)13-4-5-15-16(11-13)24-17(20-15)14-3-2-6-19-12-14/h2-6,11-12H,7-10H2,1H3
InChIKeyZGOZZPYQFAXXPG-UHFFFAOYSA-N
XLogP2.28
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Pyridyl)benzoxazole
CID 16803
A 33853
CID 133379
(2-Cyclohexyl-1,3-Benzoxazol-6-Yl){3-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]azetidin-1-Yl}methanone
CID 45279979
Piperazine, 1-benzoyl-4-[2-[7-(2-oxazolyl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-
CID 5280183
6-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-6H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 44431192
N-[1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
CID 130472810
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 650941
N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]pentanamide
CID 665180
2-(2-fluorobenzyl)-N-[2-(2-pyridinyl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816611
N-[3-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 776012

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone (CID 134799167) is (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone is CN1CCN(C(=O)c2ccc3nc(-c4cccnc4)oc3c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone?
The InChIKey is ZGOZZPYQFAXXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-7-9-22(10-8-21)18(23)13-4-5-15-16(11-13)24-17(20-15)14-3-2-6-19-12-14/h2-6,11-12H,7-10H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone?
(4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone has a molecular weight of 322.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-pyridin-3-yl-1,3-benzoxazol-6-yl)methanone is sourced from PubChem (CID 134799167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).