4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine

C27H26N6O2 — CID 129165840

IUPAC4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(C)c3)nc(N3CCOCC3c3ccccc3)c2c1
InChIInChI=1S/C27H26N6O2/c1-17-25(18(2)35-31-17)20-9-10-23-22(13-20)27(30-26(29-23)21-14-28-32(3)15-21)33-11-12-34-16-24(33)19-7-5-4-6-8-19/h4-10,13-15,24H,11-12,16H2,1-3H3
InChIKeyNRJVHPXWJIZODB-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.88
Rot. Bonds4

About 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine (PubChem CID 129165840) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine.

Molecular Properties

Compound Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
PubChem CID129165840
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC Name4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(C)c3)nc(N3CCOCC3c3ccccc3)c2c1
InChIInChI=1S/C27H26N6O2/c1-17-25(18(2)35-31-17)20-9-10-23-22(13-20)27(30-26(29-23)21-14-28-32(3)15-21)33-11-12-34-16-24(33)19-7-5-4-6-8-19/h4-10,13-15,24H,11-12,16H2,1-3H3
InChIKeyNRJVHPXWJIZODB-UHFFFAOYSA-N
XLogP4.88
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-methylsulfonylpiperazin-1-yl)quinazolin-4-yl]-3-phenylmorpholine
CID 129165873
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylazetidin-3-yl)-4-[(3S)-3-phenylmorpholin-4-yl]quinazoline-2-carboxamide
CID 129166244
6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(3-phenylmorpholin-4-yl)-N-(thiazetidin-3-yl)quinazoline-2-carboxamide
CID 175355937
1-[4-[4-(3-cyclopropylmorpholin-4-yl)-6-(1,5-dimethyl-6-methylidene-3-pyridinyl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-[3-(4-fluorophenyl)morpholin-4-yl]quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[6-(1,5-dimethyl-6-methylidene-3-pyridinyl)-4-(3-phenylmorpholin-4-yl)quinazolin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 167641523
5-[2-chloro-4-[(3S)-3-phenylmorpholin-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 135361130
tert-butyl (3S)-4-[2-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]-3-phenylpiperazine-1-carboxylate
CID 140931630
2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(2-phenylpyrrolidin-1-yl)quinazolin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 129165841
4-[2-(1,2-dihydropyridin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]morpholine
CID 175898224
5-[4-[(3S)-3-cyclopropylmorpholin-4-yl]-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]quinazolin-6-yl]-1-methylpyridin-2-one
CID 162645225
(3S)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97345900
3-methyl-5-(1-methylpyrazol-4-yl)-2,1-benzoxazole
CID 23537432
N-[(3-chlorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165980

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine?
The IUPAC name of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine (CID 129165840) is 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine.
What is the SMILES notation for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine?
The canonical SMILES for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine is Cc1noc(C)c1-c1ccc2nc(-c3cnn(C)c3)nc(N3CCOCC3c3ccccc3)c2c1.
What is the InChIKey of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine?
The InChIKey is NRJVHPXWJIZODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-17-25(18(2)35-31-17)20-9-10-23-22(13-20)27(30-26(29-23)21-14-28-32(3)15-21)33-11-12-34-16-24(33)19-7-5-4-6-8-19/h4-10,13-15,24H,11-12,16H2,1-3H3.
What are the key properties of 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine?
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine has a molecular weight of 466.55 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1-methylpyrazol-4-yl)quinazolin-4-yl]-3-phenylmorpholine is sourced from PubChem (CID 129165840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).