N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide

C20H27N3O2 — CID 110429521

IUPACN-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CCCO1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)15-9-7-14(8-10-15)17(18-21-11-12-23(18)4)22-19(24)16-6-5-13-25-16/h7-12,16-17H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyZQWJFTBFVDIALR-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.10
Rot. Bonds4

About N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide

N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide (PubChem CID 110429521) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
PubChem CID110429521
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
SMILESCn1ccnc1C(NC(=O)C1CCCO1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)15-9-7-14(8-10-15)17(18-21-11-12-23(18)4)22-19(24)16-6-5-13-25-16/h7-12,16-17H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyZQWJFTBFVDIALR-UHFFFAOYSA-N
XLogP3.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 39508060
N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 110429504
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 25341765
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 110429513
1-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026862
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18103540
2-(4-tert-butylphenyl)sulfanyl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55500150
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557
(2R)-N-[(S)-phenyl(thiophen-2-yl)methyl]oxolane-2-carboxamide
CID 38010742

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide (CID 110429521) is N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide is Cn1ccnc1C(NC(=O)C1CCCO1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
The InChIKey is ZQWJFTBFVDIALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)15-9-7-14(8-10-15)17(18-21-11-12-23(18)4)22-19(24)16-6-5-13-25-16/h7-12,16-17H,5-6,13H2,1-4H3,(H,22,24).
What are the key properties of N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide?
N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110429521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).