N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide

C16H19N3O2 — CID 4603731

IUPACN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide
SMILESCc1[nH]cnc1CN(C(=O)C1CCOC1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-12-15(18-11-17-12)9-19(14-5-3-2-4-6-14)16(20)13-7-8-21-10-13/h2-6,11,13H,7-10H2,1H3,(H,17,18)
InChIKeyIGUDBJDHNVFECS-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.29
Rot. Bonds4

About N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide

N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide (PubChem CID 4603731) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide
PubChem CID4603731
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide
SMILESCc1[nH]cnc1CN(C(=O)C1CCOC1)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-12-15(18-11-17-12)9-19(14-5-3-2-4-6-14)16(20)13-7-8-21-10-13/h2-6,11,13H,7-10H2,1H3,(H,17,18)
InChIKeyIGUDBJDHNVFECS-UHFFFAOYSA-N
XLogP2.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-phenyloxolane-3-carboxamide
CID 5047915
(3S)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592122
(3R)-N-phenyl-N-(thiophen-3-ylmethyl)oxolane-3-carboxamide
CID 124592121
(3S)-N-phenyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 95629587
N-ethyl-N-phenyloxane-3-carboxamide
CID 110857893
(3R)-N-(cyclopropylmethyl)-N-phenyloxane-3-carboxamide
CID 97082635
(3S)-N-(2-oxo-2-piperidin-1-ylethyl)-N-phenyloxolane-3-carboxamide
CID 95620326
3-[2-amino-N-(oxolane-3-carbonyl)anilino]propanoic acid
CID 63118458
(2S)-2-[methyl-[(3S)-oxolane-3-carbonyl]amino]-3-phenylpropanoic acid
CID 125120952
methyl (2S)-2-(N-[(3S)-oxolane-3-carbonyl]anilino)butanoate
CID 129379975
2-(N-[(2R)-1,4-dioxane-2-carbonyl]anilino)acetic acid
CID 93332772
N-(1H-indol-2-ylmethyl)-N-phenyl-1,4-dioxane-2-carboxamide
CID 126824080

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide?
The IUPAC name of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide (CID 4603731) is N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide is Cc1[nH]cnc1CN(C(=O)C1CCOC1)c1ccccc1.
What is the InChIKey of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide?
The InChIKey is IGUDBJDHNVFECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-15(18-11-17-12)9-19(14-5-3-2-4-6-14)16(20)13-7-8-21-10-13/h2-6,11,13H,7-10H2,1H3,(H,17,18).
What are the key properties of N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide?
N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-imidazol-4-yl)methyl]-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 4603731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).