N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide

C14H14N2O4 — CID 90535673

IUPACN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1(O)CCOc2ccccc21)c1ccno1
InChIInChI=1S/C14H14N2O4/c17-13(12-5-7-16-20-12)15-9-14(18)6-8-19-11-4-2-1-3-10(11)14/h1-5,7,18H,6,8-9H2,(H,15,17)
InChIKeyDTDKAIMHLCHPCF-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.07
Rot. Bonds3

About N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 90535673) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID90535673
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC NameN-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1(O)CCOc2ccccc21)c1ccno1
InChIInChI=1S/C14H14N2O4/c17-13(12-5-7-16-20-12)15-9-14(18)6-8-19-11-4-2-1-3-10(11)14/h1-5,7,18H,6,8-9H2,(H,15,17)
InChIKeyDTDKAIMHLCHPCF-UHFFFAOYSA-N
XLogP1.07
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97040498
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 95984810
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
CID 90535736
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 65123055
N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 95984909
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-benzothiophene-2-carboxamide
CID 100701398

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide (CID 90535673) is N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCC1(O)CCOc2ccccc21)c1ccno1.
What is the InChIKey of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is DTDKAIMHLCHPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-13(12-5-7-16-20-12)15-9-14(18)6-8-19-11-4-2-1-3-10(11)14/h1-5,7,18H,6,8-9H2,(H,15,17).
What are the key properties of N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide?
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90535673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).