N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide

C18H20N4O3 — CID 70784115

IUPACN-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3noc4c3CCCC4)n[nH]2)o1
InChIInChI=1S/C18H20N4O3/c1-11-7-8-17(24-11)13-9-14(20-19-13)18(23)22(2)10-15-12-5-3-4-6-16(12)25-21-15/h7-9H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyDBYKJLBJTNRVPE-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.12
Rot. Bonds4

About N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide

N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 70784115) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID70784115
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)Cc3noc4c3CCCC4)n[nH]2)o1
InChIInChI=1S/C18H20N4O3/c1-11-7-8-17(24-11)13-9-14(20-19-13)18(23)22(2)10-15-12-5-3-4-6-16(12)25-21-15/h7-9H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyDBYKJLBJTNRVPE-UHFFFAOYSA-N
XLogP3.12
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 70784115) is N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)Cc3noc4c3CCCC4)n[nH]2)o1.
What is the InChIKey of N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DBYKJLBJTNRVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-7-8-17(24-11)13-9-14(20-19-13)18(23)22(2)10-15-12-5-3-4-6-16(12)25-21-15/h7-9H,3-6,10H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide?
N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(5-methylfuran-2-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70784115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).