(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate

C14H12N4O3 — CID 27926807

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCc2nnc(-c3ccccc3)o2)cn1
InChIInChI=1S/C14H12N4O3/c1-18-8-11(7-15-18)14(19)20-9-12-16-17-13(21-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyQQWDPAQVDAAYHA-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.83
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate (PubChem CID 27926807) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate
PubChem CID27926807
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCc2nnc(-c3ccccc3)o2)cn1
InChIInChI=1S/C14H12N4O3/c1-18-8-11(7-15-18)14(19)20-9-12-16-17-13(21-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyQQWDPAQVDAAYHA-UHFFFAOYSA-N
XLogP1.83
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 31858135
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CID 7204116
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxylate
CID 31615743
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(propan-2-yloxymethyl)benzoate
CID 8985549
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-pyrrol-1-ylbenzoate
CID 47009513
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204486
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2,4,6-trimethylbenzoate
CID 7472802
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 2669364
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromo-4-methoxybenzoate
CID 8875963
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl furan-2-carboxylate
CID 2081182
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(carbamoylamino)benzoate
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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate (CID 27926807) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate is Cn1cc(C(=O)OCc2nnc(-c3ccccc3)o2)cn1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate?
The InChIKey is QQWDPAQVDAAYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-18-8-11(7-15-18)14(19)20-9-12-16-17-13(21-12)10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 27926807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).