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

C16H18N2O3 — CID 70739420

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2COc3ccccc3C2)no1
InChIInChI=1S/C16H18N2O3/c1-10(2)15-8-13(18-21-15)16(19)17-12-7-11-5-3-4-6-14(11)20-9-12/h3-6,8,10,12H,7,9H2,1-2H3,(H,17,19)
InChIKeyIBFIHYVCXAVZSV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.53
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 70739420) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID70739420
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2COc3ccccc3C2)no1
InChIInChI=1S/C16H18N2O3/c1-10(2)15-8-13(18-21-15)16(19)17-12-7-11-5-3-4-6-14(11)20-9-12/h3-6,8,10,12H,7,9H2,1-2H3,(H,17,19)
InChIKeyIBFIHYVCXAVZSV-UHFFFAOYSA-N
XLogP2.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 70709515
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N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
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N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97112668
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97112669
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
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N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
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N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
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4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 70739420) is N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC2COc3ccccc3C2)no1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IBFIHYVCXAVZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(2)15-8-13(18-21-15)16(19)17-12-7-11-5-3-4-6-14(11)20-9-12/h3-6,8,10,12H,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70739420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).