N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide

C11H17N3O2 — CID 63930583

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-14(8-10-12-4-5-13-10)11(15)9-2-6-16-7-3-9/h4-5,9H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyVXHKVUBPGXVSLQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.79
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide (PubChem CID 63930583) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide
PubChem CID63930583
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCOCC1
InChIInChI=1S/C11H17N3O2/c1-14(8-10-12-4-5-13-10)11(15)9-2-6-16-7-3-9/h4-5,9H,2-3,6-8H2,1H3,(H,12,13)
InChIKeyVXHKVUBPGXVSLQ-UHFFFAOYSA-N
XLogP0.79
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)-1H-imidazole
CID 59198587
1-(3-ethoxypropanoyl)-3-(1H-imidazol-2-yl)piperidine
CID 70728567
2-(2-isopropyl-1H-imidazol-1-yl)-N-(tetrahydro-2H-pyran-4-yl)propanamide
CID 72858484
[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 84587791
3-(1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidine
CID 70735836
3-{2-[4-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}morpholine
CID 70781326
1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 71927379
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
CID 95765543
N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide
CID 114826329
1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-2-propoxyethanone
CID 132356722
1-(1H-imidazol-2-ylcarbonyl)-4-(2-methoxyethyl)piperidine
CID 132421282
1-[(3S)-3-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-pentoxyethanone
CID 164643225

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide (CID 63930583) is N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CCOCC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide?
The InChIKey is VXHKVUBPGXVSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(8-10-12-4-5-13-10)11(15)9-2-6-16-7-3-9/h4-5,9H,2-3,6-8H2,1H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyloxane-4-carboxamide is sourced from PubChem (CID 63930583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).