2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole

C20H17ClN4O — CID 97248176

IUPAC2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole
SMILESClc1ccc2c(N3CCCC[C@H]3c3nc4ccccc4o3)ncnc2c1
InChIInChI=1S/C20H17ClN4O/c21-13-8-9-14-16(11-13)22-12-23-19(14)25-10-4-3-6-17(25)20-24-15-5-1-2-7-18(15)26-20/h1-2,5,7-9,11-12,17H,3-4,6,10H2/t17-/m0/s1
InChIKeyNLMZOSXNHBMLKP-KRWDZBQOSA-N
MW364.84 g/mol
LogP5.16
Rot. Bonds2

About 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole

2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole (PubChem CID 97248176) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole
PubChem CID97248176
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole
SMILESClc1ccc2c(N3CCCC[C@H]3c3nc4ccccc4o3)ncnc2c1
InChIInChI=1S/C20H17ClN4O/c21-13-8-9-14-16(11-13)22-12-23-19(14)25-10-4-3-6-17(25)20-24-15-5-1-2-7-18(15)26-20/h1-2,5,7-9,11-12,17H,3-4,6,10H2/t17-/m0/s1
InChIKeyNLMZOSXNHBMLKP-KRWDZBQOSA-N
XLogP5.16
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.84
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-4-[2-(furan-2-yl)pyrrolidin-1-yl]quinazoline
CID 86962318
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone
CID 71849215
2-[(2R)-1-(2-nitrophenyl)piperidin-2-yl]-1,3-benzoxazole
CID 97084440
6-chloro-4-(2-methylpiperidin-1-yl)quinazoline
CID 172903082
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
5-methyl-3-[(2R)-1-quinazolin-4-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998438
4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline
CID 24606917
3-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-5-chloro-1,2-benzoxazole
CID 171691065
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56514362
(3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 97344166
2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-3-yl]-1,3-benzoxazole
CID 11689657
2-(2-chlorophenyl)-4-(7-chloroquinazolin-4-yl)morpholine
CID 86889499

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole (CID 97248176) is 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole is Clc1ccc2c(N3CCCC[C@H]3c3nc4ccccc4o3)ncnc2c1.
What is the InChIKey of 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole?
The InChIKey is NLMZOSXNHBMLKP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-13-8-9-14-16(11-13)22-12-23-19(14)25-10-4-3-6-17(25)20-24-15-5-1-2-7-18(15)26-20/h1-2,5,7-9,11-12,17H,3-4,6,10H2/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole?
2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole has a molecular weight of 364.84 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(7-chloroquinazolin-4-yl)piperidin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 97248176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).