2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide

C20H22N4O4 — CID 42529733

IUPAC2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C)ccc1OCc1nc(C(=O)NCc2n[nH]c3c2CCC3)co1
InChIInChI=1S/C20H22N4O4/c1-12-6-7-17(18(8-12)26-2)27-11-19-22-16(10-28-19)20(25)21-9-15-13-4-3-5-14(13)23-24-15/h6-8,10H,3-5,9,11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyFCYMTDXJVXLJAS-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.71
Rot. Bonds7

About 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide

2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42529733) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID42529733
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C)ccc1OCc1nc(C(=O)NCc2n[nH]c3c2CCC3)co1
InChIInChI=1S/C20H22N4O4/c1-12-6-7-17(18(8-12)26-2)27-11-19-22-16(10-28-19)20(25)21-9-15-13-4-3-5-14(13)23-24-15/h6-8,10H,3-5,9,11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyFCYMTDXJVXLJAS-UHFFFAOYSA-N
XLogP2.71
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 42529733) is 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide is COc1cc(C)ccc1OCc1nc(C(=O)NCc2n[nH]c3c2CCC3)co1.
What is the InChIKey of 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is FCYMTDXJVXLJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-6-7-17(18(8-12)26-2)27-11-19-22-16(10-28-19)20(25)21-9-15-13-4-3-5-14(13)23-24-15/h6-8,10H,3-5,9,11H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42529733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).