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

C19H20N4O4 — CID 42289594

IUPAC2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)NCc3n[nH]c4c3CCC4)co2)c1
InChIInChI=1S/C19H20N4O4/c1-25-12-4-2-5-13(8-12)26-11-18-21-17(10-27-18)19(24)20-9-16-14-6-3-7-15(14)22-23-16/h2,4-5,8,10H,3,6-7,9,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyNBCYORNGAIBMAG-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.40
Rot. Bonds7

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

2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42289594) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID42289594
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(OCc2nc(C(=O)NCc3n[nH]c4c3CCC4)co2)c1
InChIInChI=1S/C19H20N4O4/c1-25-12-4-2-5-13(8-12)26-11-18-21-17(10-27-18)19(24)20-9-16-14-6-3-7-15(14)22-23-16/h2,4-5,8,10H,3,6-7,9,11H2,1H3,(H,20,24)(H,22,23)
InChIKeyNBCYORNGAIBMAG-UHFFFAOYSA-N
XLogP2.40
TPSA102.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-methoxy-4-methylphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42529733
2-[(3-methoxyphenoxy)methyl]-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 26403419
2-(aminomethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 154909937
3-(4-methoxyphenyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50977161
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42595551
N-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26392971
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(3-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 42403951
2-[(3-methoxyphenoxy)methyl]-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42147972
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56707470
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
N-(3-hydroxybutyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56713301

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 42289594) is 2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide is COc1cccc(OCc2nc(C(=O)NCc3n[nH]c4c3CCC4)co2)c1.
What is the InChIKey of 2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NBCYORNGAIBMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-25-12-4-2-5-13(8-12)26-11-18-21-17(10-27-18)19(24)20-9-16-14-6-3-7-15(14)22-23-16/h2,4-5,8,10H,3,6-7,9,11H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide?
2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenoxy)methyl]-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42289594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).