N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide

C15H23N3O3 — CID 91788912

IUPACN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)[nH]1
InChIInChI=1S/C15H23N3O3/c1-10-7-16-14(17-10)15(19)18-12-9-20-6-5-13(12)21-8-11-3-2-4-11/h7,11-13H,2-6,8-9H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m1/s1
InChIKeyQLWLIHWNRUZKPQ-OLZOCXBDSA-N
MW293.37 g/mol
LogP1.42
Rot. Bonds5

About N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide

N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 91788912) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID91788912
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)[nH]1
InChIInChI=1S/C15H23N3O3/c1-10-7-16-14(17-10)15(19)18-12-9-20-6-5-13(12)21-8-11-3-2-4-11/h7,11-13H,2-6,8-9H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m1/s1
InChIKeyQLWLIHWNRUZKPQ-OLZOCXBDSA-N
XLogP1.42
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide (CID 91788912) is N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)[nH]1.
What is the InChIKey of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is QLWLIHWNRUZKPQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-7-16-14(17-10)15(19)18-12-9-20-6-5-13(12)21-8-11-3-2-4-11/h7,11-13H,2-6,8-9H2,1H3,(H,16,17)(H,18,19)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide?
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91788912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).