[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol

C22H22N2O3 — CID 134805469

IUPAC[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol
SMILESCc1noc(C)c1-c1cc2cc(C(C)C)oc2c(-c2ccc(CO)cc2)n1
InChIInChI=1S/C22H22N2O3/c1-12(2)19-10-17-9-18(20-13(3)24-27-14(20)4)23-21(22(17)26-19)16-7-5-15(11-25)6-8-16/h5-10,12,25H,11H2,1-4H3
InChIKeyJIIANWNHXZMZIT-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.38
Rot. Bonds4

About [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol

[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol (PubChem CID 134805469) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol
PubChem CID134805469
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol
SMILESCc1noc(C)c1-c1cc2cc(C(C)C)oc2c(-c2ccc(CO)cc2)n1
InChIInChI=1S/C22H22N2O3/c1-12(2)19-10-17-9-18(20-13(3)24-27-14(20)4)23-21(22(17)26-19)16-7-5-15(11-25)6-8-16/h5-10,12,25H,11H2,1-4H3
InChIKeyJIIANWNHXZMZIT-UHFFFAOYSA-N
XLogP5.38
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol?
The IUPAC name of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol (CID 134805469) is [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol.
What is the SMILES notation for [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol?
The canonical SMILES for [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol is Cc1noc(C)c1-c1cc2cc(C(C)C)oc2c(-c2ccc(CO)cc2)n1.
What is the InChIKey of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol?
The InChIKey is JIIANWNHXZMZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-12(2)19-10-17-9-18(20-13(3)24-27-14(20)4)23-21(22(17)26-19)16-7-5-15(11-25)6-8-16/h5-10,12,25H,11H2,1-4H3.
What are the key properties of [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol?
[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol has a molecular weight of 362.43 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-propan-2-ylfuro[2,3-c]pyridin-7-yl]phenyl]methanol is sourced from PubChem (CID 134805469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).