3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole

C21H22N4O — CID 24931142

IUPAC3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCc4cnc(CC5CC5)nc4C3)no2)cc1
InChIInChI=1S/C21H22N4O/c1-2-4-16(5-3-1)20-11-18(24-26-20)13-25-9-8-17-12-22-21(10-15-6-7-15)23-19(17)14-25/h1-5,11-12,15H,6-10,13-14H2
InChIKeyYLADHFGEOWJZAF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.64
Rot. Bonds5

About 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole

3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole (PubChem CID 24931142) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole
PubChem CID24931142
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole
SMILESc1ccc(-c2cc(CN3CCc4cnc(CC5CC5)nc4C3)no2)cc1
InChIInChI=1S/C21H22N4O/c1-2-4-16(5-3-1)20-11-18(24-26-20)13-25-9-8-17-12-22-21(10-15-6-7-15)23-19(17)14-25/h1-5,11-12,15H,6-10,13-14H2
InChIKeyYLADHFGEOWJZAF-UHFFFAOYSA-N
XLogP3.64
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-3-[(2-propyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,2-oxazole
CID 24931128
2-(cyclopropylmethyl)-7-[(4-phenylthiophen-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930974
4-[7-[(5-phenyl-1,2-oxazol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931133
3-[(2-methylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-5-phenyl-1,2-oxazole
CID 24931129
2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931709
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-5-phenyl-1,2-oxazole
CID 24916142
7-(cyclopentylmethyl)-2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930470
N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 120966206
5-(furan-2-yl)-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24917420
5-(4-methylphenyl)-3-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24915218
1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanol
CID 106837511

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole (CID 24931142) is 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole is c1ccc(-c2cc(CN3CCc4cnc(CC5CC5)nc4C3)no2)cc1.
What is the InChIKey of 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole?
The InChIKey is YLADHFGEOWJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-2-4-16(5-3-1)20-11-18(24-26-20)13-25-9-8-17-12-22-21(10-15-6-7-15)23-19(17)14-25/h1-5,11-12,15H,6-10,13-14H2.
What are the key properties of 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole?
3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole has a molecular weight of 346.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 24931142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).