(3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine

C17H18ClN5O2 — CID 97344166

IUPAC(3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)c1nc([C@H]2COCCN2c2ncnc3cc(Cl)ccc23)no1
InChIInChI=1S/C17H18ClN5O2/c1-10(2)17-21-15(22-25-17)14-8-24-6-5-23(14)16-12-4-3-11(18)7-13(12)19-9-20-16/h3-4,7,9-10,14H,5-6,8H2,1-2H3/t14-/m1/s1
InChIKeyRKYZMXKUYRUWJL-CQSZACIVSA-N
MW359.82 g/mol
LogP3.37
Rot. Bonds3

About (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine

(3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 97344166) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name(3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID97344166
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name(3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCC(C)c1nc([C@H]2COCCN2c2ncnc3cc(Cl)ccc23)no1
InChIInChI=1S/C17H18ClN5O2/c1-10(2)17-21-15(22-25-17)14-8-24-6-5-23(14)16-12-4-3-11(18)7-13(12)19-9-20-16/h3-4,7,9-10,14H,5-6,8H2,1-2H3/t14-/m1/s1
InChIKeyRKYZMXKUYRUWJL-CQSZACIVSA-N
XLogP3.37
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine (CID 97344166) is (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is CC(C)c1nc([C@H]2COCCN2c2ncnc3cc(Cl)ccc23)no1.
What is the InChIKey of (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is RKYZMXKUYRUWJL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-10(2)17-21-15(22-25-17)14-8-24-6-5-23(14)16-12-4-3-11(18)7-13(12)19-9-20-16/h3-4,7,9-10,14H,5-6,8H2,1-2H3/t14-/m1/s1.
What are the key properties of (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine?
(3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 359.82 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(7-chloroquinazolin-4-yl)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 97344166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).