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

C16H18N4O2 — CID 24791737

IUPACN-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)[nH]1
InChIInChI=1S/C16H18N4O2/c1-9(2)16-20-12-6-11(4-5-13(12)22-16)15(21)18-8-14-17-7-10(3)19-14/h4-7,9H,8H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyNNNMDAPWISAABF-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.91
Rot. Bonds4

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

N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 24791737) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID24791737
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)[nH]1
InChIInChI=1S/C16H18N4O2/c1-9(2)16-20-12-6-11(4-5-13(12)22-16)15(21)18-8-14-17-7-10(3)19-14/h4-7,9H,8H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyNNNMDAPWISAABF-UHFFFAOYSA-N
XLogP2.91
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide (CID 24791737) is N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is Cc1cnc(CNC(=O)c2ccc3oc(C(C)C)nc3c2)[nH]1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is NNNMDAPWISAABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-9(2)16-20-12-6-11(4-5-13(12)22-16)15(21)18-8-14-17-7-10(3)19-14/h4-7,9H,8H2,1-3H3,(H,17,19)(H,18,21).
What are the key properties of N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide?
N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24791737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).