N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide

C15H15N5O3 — CID 75390628

IUPACN-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1
InChIInChI=1S/C15H15N5O3/c1-9-12(16-8-22-9)13(21)17-11-6-4-10(5-7-11)14-18-19-15(23-14)20(2)3/h4-8H,1-3H3,(H,17,21)
InChIKeyVHZXYWTXLPVSHU-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.35
Rot. Bonds4

About N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 75390628) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID75390628
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1
InChIInChI=1S/C15H15N5O3/c1-9-12(16-8-22-9)13(21)17-11-6-4-10(5-7-11)14-18-19-15(23-14)20(2)3/h4-8H,1-3H3,(H,17,21)
InChIKeyVHZXYWTXLPVSHU-UHFFFAOYSA-N
XLogP2.35
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide
CID 166430932
cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide
CID 97248853
N-[(2S)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]-5-methyl-1,3-oxazole-4-carboxamide
CID 99637145
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 1487943
3-amino-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136577955
5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391165
N-(4-bromophenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391151
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693289
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
3,4-dimethyl-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725536
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
5-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
CID 136579121

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 75390628) is N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1.
What is the InChIKey of N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is VHZXYWTXLPVSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-9-12(16-8-22-9)13(21)17-11-6-4-10(5-7-11)14-18-19-15(23-14)20(2)3/h4-8H,1-3H3,(H,17,21).
What are the key properties of N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75390628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).