5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one

C16H11N3O4 — CID 137361929

IUPAC5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one
SMILESCOc1ccccc1-c1nnc(-c2ccc3[nH]oc(=O)c3c2)o1
InChIInChI=1S/C16H11N3O4/c1-21-13-5-3-2-4-10(13)15-18-17-14(22-15)9-6-7-12-11(8-9)16(20)23-19-12/h2-8,19H,1H3
InChIKeyDRRCPXHFTHKLSI-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.85
Rot. Bonds3

About 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one

5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one (PubChem CID 137361929) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one.

Molecular Properties

Compound Name5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one
PubChem CID137361929
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one
SMILESCOc1ccccc1-c1nnc(-c2ccc3[nH]oc(=O)c3c2)o1
InChIInChI=1S/C16H11N3O4/c1-21-13-5-3-2-4-10(13)15-18-17-14(22-15)9-6-7-12-11(8-9)16(20)23-19-12/h2-8,19H,1H3
InChIKeyDRRCPXHFTHKLSI-UHFFFAOYSA-N
XLogP2.85
TPSA94.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-dihydroinden-2-one
CID 168858157
4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 137228616
5-methoxy-1H-2,1-benzoxazol-3-one
CID 11715223
3-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 21239652
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-(4-methoxy-3-nitrophenyl)-5-phenyl-1,3,4-oxadiazole
CID 17359287
2-[4-(difluoromethoxy)-3-methoxyphenyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 19554513
N-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]pyridine-3-carboxamide
CID 10595444
7-methoxy-1H-2,1-benzoxazol-3-one
CID 105432561
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 1119347
2-[6-methoxy-5-[2-methoxy-6-(5-phenyl-1,3,4-oxadiazol-2-yl)naphthalen-1-yl]naphthalen-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 59815296

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one?
The IUPAC name of 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one (CID 137361929) is 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one.
What is the SMILES notation for 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one?
The canonical SMILES for 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one is COc1ccccc1-c1nnc(-c2ccc3[nH]oc(=O)c3c2)o1.
What is the InChIKey of 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one?
The InChIKey is DRRCPXHFTHKLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c1-21-13-5-3-2-4-10(13)15-18-17-14(22-15)9-6-7-12-11(8-9)16(20)23-19-12/h2-8,19H,1H3.
What are the key properties of 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one?
5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one has a molecular weight of 309.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1H-2,1-benzoxazol-3-one is sourced from PubChem (CID 137361929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).