5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide

C22H25N5O4 — CID 171144661

IUPAC5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2Cc3cc(C(=O)NC(C)C)nn3C2)c1COc1ccccc1
InChIInChI=1S/C22H25N5O4/c1-13(2)23-21(28)19-10-16-9-15(11-27(16)25-19)24-22(29)20-18(14(3)31-26-20)12-30-17-7-5-4-6-8-17/h4-8,10,13,15H,9,11-12H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyIPBSJQZFBXWHSO-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.25
Rot. Bonds7

About 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide

5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide (PubChem CID 171144661) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide
PubChem CID171144661
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)NC2Cc3cc(C(=O)NC(C)C)nn3C2)c1COc1ccccc1
InChIInChI=1S/C22H25N5O4/c1-13(2)23-21(28)19-10-16-9-15(11-27(16)25-19)24-22(29)20-18(14(3)31-26-20)12-30-17-7-5-4-6-8-17/h4-8,10,13,15H,9,11-12H2,1-3H3,(H,23,28)(H,24,29)
InChIKeyIPBSJQZFBXWHSO-UHFFFAOYSA-N
XLogP2.25
TPSA111.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-4-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 171144664
N-cyclohexyl-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486426
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
N-cycloheptyl-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488509
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443193
N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442893
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19488136
N-cycloheptyl-4-[(2-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492794
methyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylate
CID 19488173
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carboxamide
CID 19486450
4-[(3-fluorophenoxy)methyl]-5-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 19492747
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-methylpiperidin-3-yl)benzamide
CID 71938524

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide (CID 171144661) is 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)NC2Cc3cc(C(=O)NC(C)C)nn3C2)c1COc1ccccc1.
What is the InChIKey of 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is IPBSJQZFBXWHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-13(2)23-21(28)19-10-16-9-15(11-27(16)25-19)24-22(29)20-18(14(3)31-26-20)12-30-17-7-5-4-6-8-17/h4-8,10,13,15H,9,11-12H2,1-3H3,(H,23,28)(H,24,29).
What are the key properties of 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide?
5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(phenoxymethyl)-N-[2-(propan-2-ylcarbamoyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-5-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 171144661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).