N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide

C14H14Cl2N2O4 — CID 94797026

IUPACN-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)on1
InChIInChI=1S/C14H14Cl2N2O4/c1-8-5-12(22-18-8)14(20)17-6-9(19)7-21-11-4-2-3-10(15)13(11)16/h2-5,9,19H,6-7H2,1H3,(H,17,20)/t9-/m0/s1
InChIKeyHEGCNLCGZDXXJL-VIFPVBQESA-N
MW345.18 g/mol
LogP2.46
Rot. Bonds6

About N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 94797026) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID94797026
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC NameN-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)on1
InChIInChI=1S/C14H14Cl2N2O4/c1-8-5-12(22-18-8)14(20)17-6-9(19)7-21-11-4-2-3-10(15)13(11)16/h2-5,9,19H,6-7H2,1H3,(H,17,20)/t9-/m0/s1
InChIKeyHEGCNLCGZDXXJL-VIFPVBQESA-N
XLogP2.46
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 56505330
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94813443
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
CID 119305104
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
3-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(3-methylphenoxy)propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60583795
(2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 10113937
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-imidazol-1-ylacetamide
CID 71849299

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 94797026) is N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC[C@H](O)COc2cccc(Cl)c2Cl)on1.
What is the InChIKey of N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is HEGCNLCGZDXXJL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c1-8-5-12(22-18-8)14(20)17-6-9(19)7-21-11-4-2-3-10(15)13(11)16/h2-5,9,19H,6-7H2,1H3,(H,17,20)/t9-/m0/s1.
What are the key properties of N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 345.18 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 94797026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).