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

C23H24N4O2 — CID 54671388

IUPAC2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)o1
InChIInChI=1S/C23H24N4O2/c1-14-19(29-15(2)24-14)16-7-9-17(10-8-16)23(11-12-23)21-26-25-20-18(22(3,4)28)6-5-13-27(20)21/h5-10,13,28H,11-12H2,1-4H3
InChIKeyZZONTFJUCGKBAB-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.31
Rot. Bonds4

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

2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 54671388) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[3-[1-[4-(2,4-dimethyl-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-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID54671388
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)o1
InChIInChI=1S/C23H24N4O2/c1-14-19(29-15(2)24-14)16-7-9-17(10-8-16)23(11-12-23)21-26-25-20-18(22(3,4)28)6-5-13-27(20)21/h5-10,13,28H,11-12H2,1-4H3
InChIKeyZZONTFJUCGKBAB-UHFFFAOYSA-N
XLogP4.31
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.31
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-(2,4-dimethyl-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-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 54671388) is 2-[3-[1-[4-(2,4-dimethyl-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-(2,4-dimethyl-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-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is Cc1nc(C)c(-c2ccc(C3(c4nnc5c(C(C)(C)O)cccn45)CC3)cc2)o1.
What is the InChIKey of 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is ZZONTFJUCGKBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14-19(29-15(2)24-14)16-7-9-17(10-8-16)23(11-12-23)21-26-25-20-18(22(3,4)28)6-5-13-27(20)21/h5-10,13,28H,11-12H2,1-4H3.
What are the key properties of 2-[3-[1-[4-(2,4-dimethyl-1,3-oxazol-5-yl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[1-[4-(2,4-dimethyl-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 388.47 g/mol, XLogP of 4.31, 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-(2,4-dimethyl-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 54671388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).