N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

C20H17N5O2 — CID 166187049

IUPACN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1cc(-c2ccncc2)on1
InChIInChI=1S/C20H17N5O2/c26-20(18-11-19(27-24-18)17-5-7-21-8-6-17)23-12-15-1-3-16(4-2-15)13-25-10-9-22-14-25/h1-11,14H,12-13H2,(H,23,26)
InChIKeyLBCDQKOYKHZXOB-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.91
Rot. Bonds6

About N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide

N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 166187049) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID166187049
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCc1ccc(Cn2ccnc2)cc1)c1cc(-c2ccncc2)on1
InChIInChI=1S/C20H17N5O2/c26-20(18-11-19(27-24-18)17-5-7-21-8-6-17)23-12-15-1-3-16(4-2-15)13-25-10-9-22-14-25/h1-11,14H,12-13H2,(H,23,26)
InChIKeyLBCDQKOYKHZXOB-UHFFFAOYSA-N
XLogP2.91
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838851
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907094
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 34906914
5-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 6619178
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 37424973
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985
N-[(3-phenoxyphenyl)methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838913
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836493
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 37423988
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 37424935
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036

Frequently Asked Questions

What is the IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide (CID 166187049) is N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is O=C(NCc1ccc(Cn2ccnc2)cc1)c1cc(-c2ccncc2)on1.
What is the InChIKey of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is LBCDQKOYKHZXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-20(18-11-19(27-24-18)17-5-7-21-8-6-17)23-12-15-1-3-16(4-2-15)13-25-10-9-22-14-25/h1-11,14H,12-13H2,(H,23,26).
What are the key properties of N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide?
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 166187049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).