2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C22H22N4O2 — CID 42633939

IUPAC2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCc1ncoc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-14-18(28-13-23-14)15-6-8-16(9-7-15)22(10-11-22)20-25-24-19-17(21(2,3)27)5-4-12-26(19)20/h4-9,12-13,27H,10-11H2,1-3H3
InChIKeyQPHMVWFDLWUSMH-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.00
Rot. Bonds4

About 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 42633939) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID42633939
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCc1ncoc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-14-18(28-13-23-14)15-6-8-16(9-7-15)22(10-11-22)20-25-24-19-17(21(2,3)27)5-4-12-26(19)20/h4-9,12-13,27H,10-11H2,1-3H3
InChIKeyQPHMVWFDLWUSMH-UHFFFAOYSA-N
XLogP4.00
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 42633939) is 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is Cc1ncoc1-c1ccc(C2(c3nnc4c(C(C)(C)O)cccn34)CC2)cc1.
What is the InChIKey of 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is QPHMVWFDLWUSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-18(28-13-23-14)15-6-8-16(9-7-15)22(10-11-22)20-25-24-19-17(21(2,3)27)5-4-12-26(19)20/h4-9,12-13,27H,10-11H2,1-3H3.
What are the key properties of 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 374.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 42633939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).