N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide

C17H20N4O2 — CID 24790905

IUPACN-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCCn1ccnc1CNC(=O)c1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C17H20N4O2/c1-4-21-8-7-18-15(21)10-19-16(22)12-5-6-14-13(9-12)20-17(23-14)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,19,22)
InChIKeyQPOULSHDDNLDEE-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.10
Rot. Bonds5

About N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide

N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 24790905) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID24790905
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCCn1ccnc1CNC(=O)c1ccc2oc(C(C)C)nc2c1
InChIInChI=1S/C17H20N4O2/c1-4-21-8-7-18-15(21)10-19-16(22)12-5-6-14-13(9-12)20-17(23-14)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,19,22)
InChIKeyQPOULSHDDNLDEE-UHFFFAOYSA-N
XLogP3.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 24790905) is N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is CCn1ccnc1CNC(=O)c1ccc2oc(C(C)C)nc2c1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is QPOULSHDDNLDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-21-8-7-18-15(21)10-19-16(22)12-5-6-14-13(9-12)20-17(23-14)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,19,22).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24790905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).