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

C17H20N2O3 — CID 77082448

IUPACN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC[C@H]1CCc2ccccc2O1
InChIInChI=1S/C17H20N2O3/c1-11(2)16-15(19-10-21-16)17(20)18-9-13-8-7-12-5-3-4-6-14(12)22-13/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyYPFMIWKREUTGEM-CYBMUJFWSA-N
MW300.36 g/mol
LogP2.92
Rot. Bonds4

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

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 77082448) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID77082448
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NC[C@H]1CCc2ccccc2O1
InChIInChI=1S/C17H20N2O3/c1-11(2)16-15(19-10-21-16)17(20)18-9-13-8-7-12-5-3-4-6-14(12)22-13/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyYPFMIWKREUTGEM-CYBMUJFWSA-N
XLogP2.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
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N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
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CID 74230092
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
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CID 70751645
N-(4-methyl-2,3-dihydrochromen-4-yl)-5-propan-2-yl-1,3-oxazole-4-carboxamide
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9-(3,4-dihydro-2H-chromen-2-ylmethylamino)-1-methylsulfanylnonan-2-one
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N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 77082448) is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NC[C@H]1CCc2ccccc2O1.
What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is YPFMIWKREUTGEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)16-15(19-10-21-16)17(20)18-9-13-8-7-12-5-3-4-6-14(12)22-13/h3-6,10-11,13H,7-9H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 77082448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).