N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C18H17N5O3 — CID 56867881

IUPACN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3cnn4ccn(C)c34)on2)cc1
InChIInChI=1S/C18H17N5O3/c1-22-7-8-23-18(22)15(11-20-23)17(24)19-10-14-9-16(21-26-14)12-3-5-13(25-2)6-4-12/h3-9,11H,10H2,1-2H3,(H,19,24)
InChIKeyVQEVFFPWABGNJW-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.27
Rot. Bonds5

About N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 56867881) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID56867881
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCOc1ccc(-c2cc(CNC(=O)c3cnn4ccn(C)c34)on2)cc1
InChIInChI=1S/C18H17N5O3/c1-22-7-8-23-18(22)15(11-20-23)17(24)19-10-14-9-16(21-26-14)12-3-5-13(25-2)6-4-12/h3-9,11H,10H2,1-2H3,(H,19,24)
InChIKeyVQEVFFPWABGNJW-UHFFFAOYSA-N
XLogP2.27
TPSA86.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 166264253
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CID 47056329
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl carbamate
CID 46892996
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
CID 71895813
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2,3-dimethoxybenzoate
CID 17482588
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
6-(4-methylphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146081561
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 159539835
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16580397
methyl 4-[5-[[2-(4-methoxyphenyl)phenoxy]methyl]-1,2-oxazol-3-yl]benzoate
CID 134847157
5-(4-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19292669
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 5-nitrofuran-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 56867881) is N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is COc1ccc(-c2cc(CNC(=O)c3cnn4ccn(C)c34)on2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is VQEVFFPWABGNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-22-7-8-23-18(22)15(11-20-23)17(24)19-10-14-9-16(21-26-14)12-3-5-13(25-2)6-4-12/h3-9,11H,10H2,1-2H3,(H,19,24).
What are the key properties of N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 56867881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).