[(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid

C17H19N3O5 — CID 154336365

IUPAC[(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
SMILESO=C(O)NC[C@H]1CN(c2ccc3c(c2)CC(=O)N3CC2CC2)C(=O)O1
InChIInChI=1S/C17H19N3O5/c21-15-6-11-5-12(3-4-14(11)20(15)8-10-1-2-10)19-9-13(25-17(19)24)7-18-16(22)23/h3-5,10,13,18H,1-2,6-9H2,(H,22,23)/t13-/m0/s1
InChIKeyLERMRWQGBSCNQN-ZDUSSCGKSA-N
MW345.36 g/mol
LogP1.58
Rot. Bonds5

About [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid

[(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid (PubChem CID 154336365) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
PubChem CID154336365
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name[(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
SMILESO=C(O)NC[C@H]1CN(c2ccc3c(c2)CC(=O)N3CC2CC2)C(=O)O1
InChIInChI=1S/C17H19N3O5/c21-15-6-11-5-12(3-4-14(11)20(15)8-10-1-2-10)19-9-13(25-17(19)24)7-18-16(22)23/h3-5,10,13,18H,1-2,6-9H2,(H,22,23)/t13-/m0/s1
InChIKeyLERMRWQGBSCNQN-ZDUSSCGKSA-N
XLogP1.58
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid with MolForge

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Related Compounds

N-[[3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72572015
[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 162112891
(5R)-5-(aminomethyl)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-1,3-oxazolidin-2-one;[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 162112890
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
[3-[3-fluoro-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 126483798
5-[(5S)-5-[(carbamothioylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid
CID 91285612
tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 69316731
3-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,1-dimethylurea
CID 110328047
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-(4-ethyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57030886
[(5S)-3-[4-[(3aR,6aS)-6a-cyclopropyl-2-oxo-3,3a,4,6-tetrahydropyrrolo[3,4-d][1,3]oxazol-5-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid
CID 155319483
N-[[(5S)-3-[(2R)-1-formyl-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12971629

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
The IUPAC name of [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid (CID 154336365) is [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid.
What is the SMILES notation for [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
The canonical SMILES for [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid is O=C(O)NC[C@H]1CN(c2ccc3c(c2)CC(=O)N3CC2CC2)C(=O)O1.
What is the InChIKey of [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
The InChIKey is LERMRWQGBSCNQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O5/c21-15-6-11-5-12(3-4-14(11)20(15)8-10-1-2-10)19-9-13(25-17(19)24)7-18-16(22)23/h3-5,10,13,18H,1-2,6-9H2,(H,22,23)/t13-/m0/s1.
What are the key properties of [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid?
[(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid has a molecular weight of 345.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-[1-(cyclopropylmethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methylcarbamic acid is sourced from PubChem (CID 154336365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).