N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

C18H18N4O3 — CID 46971285

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCc1c(-c2cc(C(=O)NC3CCOc4ccccc43)on2)cnn1C
InChIInChI=1S/C18H18N4O3/c1-11-13(10-19-22(11)2)15-9-17(25-21-15)18(23)20-14-7-8-24-16-6-4-3-5-12(14)16/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,23)
InChIKeyKVKJNHYANMLZQS-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.64
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (PubChem CID 46971285) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
PubChem CID46971285
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCc1c(-c2cc(C(=O)NC3CCOc4ccccc43)on2)cnn1C
InChIInChI=1S/C18H18N4O3/c1-11-13(10-19-22(11)2)15-9-17(25-21-15)18(23)20-14-7-8-24-16-6-4-3-5-12(14)16/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,23)
InChIKeyKVKJNHYANMLZQS-UHFFFAOYSA-N
XLogP2.64
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 124893849
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880356
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31339166
3-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyphenyl)-phenylmethyl]-1,2-oxazole-5-carboxamide
CID 46971958
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-5-ethylpyrazole-4-carboxamide
CID 78872570
N-(3,4-dihydro-2H-chromen-4-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18142811
N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16623060
N-(3,4-dihydro-2H-chromen-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51083914
N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 19590800
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 47007794
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30602468

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (CID 46971285) is N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is Cc1c(-c2cc(C(=O)NC3CCOc4ccccc43)on2)cnn1C.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is KVKJNHYANMLZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-13(10-19-22(11)2)15-9-17(25-21-15)18(23)20-14-7-8-24-16-6-4-3-5-12(14)16/h3-6,9-10,14H,7-8H2,1-2H3,(H,20,23).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46971285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).