(2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

C25H24BrN5O2 — CID 42874814

IUPAC(2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCCc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C25H24BrN5O2/c1-2-8-20-27-23(21-22(29-33-24(21)28-20)17-9-4-3-5-10-17)30-13-15-31(16-14-30)25(32)18-11-6-7-12-19(18)26/h3-7,9-12H,2,8,13-16H2,1H3
InChIKeyAVGWZORHHADEFQ-UHFFFAOYSA-N
MW506.40 g/mol
LogP4.96
Rot. Bonds5

About (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

(2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 42874814) has the molecular formula C25H24BrN5O2 and a molecular weight of 506.40 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID42874814
Molecular FormulaC25H24BrN5O2
Molecular Weight506.40 g/mol
Exact Mass505.11
IUPAC Name(2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCCCc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)c2c(-c3ccccc3)noc2n1
InChIInChI=1S/C25H24BrN5O2/c1-2-8-20-27-23(21-22(29-33-24(21)28-20)17-9-4-3-5-10-17)30-13-15-31(16-14-30)25(32)18-11-6-7-12-19(18)26/h3-7,9-12H,2,8,13-16H2,1H3
InChIKeyAVGWZORHHADEFQ-UHFFFAOYSA-N
XLogP4.96
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethoxyphenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 42874921
N-(2,6-dimethylphenyl)-4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 46076832
[4-(6-benzyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 46076336
[4-(6-benzyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone
CID 46076596
[4-(6-benzyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 42874931
4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 46076920
1,3-benzodioxol-5-yl-[4-(6-butyl-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 42874924
4-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 42875110
3-(3-phenyl-4-piperidin-1-yl-[1,2]oxazolo[5,4-d]pyrimidin-6-yl)-N-propylpropanamide
CID 53115756
[4-(3-naphthalen-2-yl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 42874871
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 42875101
[4-[6-propyl-3-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46076674

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone (CID 42874814) is (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is CCCc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)c2c(-c3ccccc3)noc2n1.
What is the InChIKey of (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is AVGWZORHHADEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN5O2/c1-2-8-20-27-23(21-22(29-33-24(21)28-20)17-9-4-3-5-10-17)30-13-15-31(16-14-30)25(32)18-11-6-7-12-19(18)26/h3-7,9-12H,2,8,13-16H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone?
(2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 506.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 42874814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).