(2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one

C23H23N3O3 — CID 41138450

IUPAC(2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1
InChIInChI=1S/C23H23N3O3/c1-14-20(15(2)29-25-14)13-28-18-11-7-16(8-12-18)22-24-21-6-4-3-5-19(21)23(27)26(22)17-9-10-17/h3-8,11-12,17,22,24H,9-10,13H2,1-2H3/t22-/m0/s1
InChIKeyGJRVZIZTWHEYJE-QFIPXVFZSA-N
MW389.46 g/mol
LogP4.60
Rot. Bonds5

About (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one

(2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 41138450) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID41138450
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
SMILESCc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1
InChIInChI=1S/C23H23N3O3/c1-14-20(15(2)29-25-14)13-28-18-11-7-16(8-12-18)22-24-21-6-4-3-5-19(21)23(27)26(22)17-9-10-17/h3-8,11-12,17,22,24H,9-10,13H2,1-2H3/t22-/m0/s1
InChIKeyGJRVZIZTWHEYJE-QFIPXVFZSA-N
XLogP4.60
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911
(2R)-3-cyclopropyl-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 9291578
(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 9008618
N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 9008576
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
(2R)-3-cyclopropyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 9008857
(2R)-3-methyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one
CID 31663079
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 51429597
(2R)-2-(4-ethoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 25384421
2-[4-(2-methylpropoxy)phenyl]-3-propyl-1,2-dihydroquinazolin-4-one
CID 54778133

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one (CID 41138450) is (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one is Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1.
What is the InChIKey of (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is GJRVZIZTWHEYJE-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-20(15(2)29-25-14)13-28-18-11-7-16(8-12-18)22-24-21-6-4-3-5-19(21)23(27)26(22)17-9-10-17/h3-8,11-12,17,22,24H,9-10,13H2,1-2H3/t22-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 389.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 41138450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).