(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one

C16H17NO3 — CID 97274733

IUPAC(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(CN2C(=O)OC[C@@H]2CO)c2ccccc12
InChIInChI=1S/C16H17NO3/c1-11-6-7-12(15-5-3-2-4-14(11)15)8-17-13(9-18)10-20-16(17)19/h2-7,13,18H,8-10H2,1H3/t13-/m0/s1
InChIKeyKHGBLHXSNLUWEL-ZDUSSCGKSA-N
MW271.32 g/mol
LogP2.46
Rot. Bonds3

About (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one

(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 97274733) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID97274733
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(CN2C(=O)OC[C@@H]2CO)c2ccccc12
InChIInChI=1S/C16H17NO3/c1-11-6-7-12(15-5-3-2-4-14(11)15)8-17-13(9-18)10-20-16(17)19/h2-7,13,18H,8-10H2,1H3/t13-/m0/s1
InChIKeyKHGBLHXSNLUWEL-ZDUSSCGKSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
(4R)-4-(hydroxymethyl)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-oxazolidin-2-one
CID 97277452
4-(aminomethyl)-3-[(2-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060196
(3R)-3-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1-propylpiperazine-2,5-dione
CID 165417469
4-(hydroxymethyl)-3-(5-methylfuran-2-yl)-1,3-oxazolidin-2-one
CID 115102521
3-(2-bromophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115063936
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one (CID 97274733) is (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one is Cc1ccc(CN2C(=O)OC[C@@H]2CO)c2ccccc12.
What is the InChIKey of (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KHGBLHXSNLUWEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-7-12(15-5-3-2-4-14(11)15)8-17-13(9-18)10-20-16(17)19/h2-7,13,18H,8-10H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one?
(4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(hydroxymethyl)-3-[(4-methylnaphthalen-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97274733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).