1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea

C19H25N3O3 — CID 97244962

IUPAC1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)NC[C@@H]1CCOc2ccccc21)c1c(C)noc1C
InChIInChI=1S/C19H25N3O3/c1-4-16(18-12(2)22-25-13(18)3)21-19(23)20-11-14-9-10-24-17-8-6-5-7-15(14)17/h5-8,14,16H,4,9-11H2,1-3H3,(H2,20,21,23)/t14-,16-/m0/s1
InChIKeyNUHQBSQYBXVWBM-HOCLYGCPSA-N
MW343.43 g/mol
LogP3.61
Rot. Bonds5

About 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea

1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea (PubChem CID 97244962) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
PubChem CID97244962
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)NC[C@@H]1CCOc2ccccc21)c1c(C)noc1C
InChIInChI=1S/C19H25N3O3/c1-4-16(18-12(2)22-25-13(18)3)21-19(23)20-11-14-9-10-24-17-8-6-5-7-15(14)17/h5-8,14,16H,4,9-11H2,1-3H3,(H2,20,21,23)/t14-,16-/m0/s1
InChIKeyNUHQBSQYBXVWBM-HOCLYGCPSA-N
XLogP3.61
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241606
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 126774217
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 97244970
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-(2-methyl-2-pyridin-4-ylpropyl)urea
CID 97160265
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418

Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
The IUPAC name of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea (CID 97244962) is 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea.
What is the SMILES notation for 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
The canonical SMILES for 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea is CC[C@H](NC(=O)NC[C@@H]1CCOc2ccccc21)c1c(C)noc1C.
What is the InChIKey of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
The InChIKey is NUHQBSQYBXVWBM-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-16(18-12(2)22-25-13(18)3)21-19(23)20-11-14-9-10-24-17-8-6-5-7-15(14)17/h5-8,14,16H,4,9-11H2,1-3H3,(H2,20,21,23)/t14-,16-/m0/s1.
What are the key properties of 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea?
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea has a molecular weight of 343.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea is sourced from PubChem (CID 97244962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).