N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide

C18H18N4O5 — CID 57422326

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc2c1OCO2
InChIInChI=1S/C18H18N4O5/c1-10-14(11(2)27-21-10)8-22-7-13(6-19-22)20-18(23)12-4-15(24-3)17-16(5-12)25-9-26-17/h4-7H,8-9H2,1-3H3,(H,20,23)
InChIKeyPJJMNCPXFJRIMQ-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.53
Rot. Bonds5

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide (PubChem CID 57422326) has the molecular formula C18H18N4O5 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide
PubChem CID57422326
Molecular FormulaC18H18N4O5
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide
SMILESCOc1cc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc2c1OCO2
InChIInChI=1S/C18H18N4O5/c1-10-14(11(2)27-21-10)8-22-7-13(6-19-22)20-18(23)12-4-15(24-3)17-16(5-12)25-9-26-17/h4-7H,8-9H2,1-3H3,(H,20,23)
InChIKeyPJJMNCPXFJRIMQ-UHFFFAOYSA-N
XLogP2.53
TPSA100.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide (CID 57422326) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide is COc1cc(C(=O)Nc2cnn(Cc3c(C)noc3C)c2)cc2c1OCO2.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide?
The InChIKey is PJJMNCPXFJRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5/c1-10-14(11(2)27-21-10)8-22-7-13(6-19-22)20-18(23)12-4-15(24-3)17-16(5-12)25-9-26-17/h4-7H,8-9H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide has a molecular weight of 370.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 57422326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).