propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate

C16H17ClN4O5 — CID 50974626

IUPACpropan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate
SMILESCc1nonc1C(=O)NCC(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1
InChIInChI=1S/C16H17ClN4O5/c1-8(2)25-16(24)11-6-10(4-5-12(11)17)19-13(22)7-18-15(23)14-9(3)20-26-21-14/h4-6,8H,7H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyRVNSKUDFABMFDO-UHFFFAOYSA-N
MW380.79 g/mol
LogP1.97
Rot. Bonds6

About propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate

propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate (PubChem CID 50974626) has the molecular formula C16H17ClN4O5 and a molecular weight of 380.79 g/mol. Its IUPAC name is propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate
PubChem CID50974626
Molecular FormulaC16H17ClN4O5
Molecular Weight380.79 g/mol
Exact Mass380.09
IUPAC Namepropan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate
SMILESCc1nonc1C(=O)NCC(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1
InChIInChI=1S/C16H17ClN4O5/c1-8(2)25-16(24)11-6-10(4-5-12(11)17)19-13(22)7-18-15(23)14-9(3)20-26-21-14/h4-6,8H,7H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyRVNSKUDFABMFDO-UHFFFAOYSA-N
XLogP1.97
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate with MolForge

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Related Compounds

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methyl 2-chloro-5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoate
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2-trimethylsilylethyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
CID 3001535
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CID 9411490
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CID 71931243
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
propan-2-yl 2-chloro-5-(quinoxaline-6-carbonylcarbamoylamino)benzoate
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[(1S)-1-cyano-2-methylpropyl] 2-chloro-5-(3,3-dimethylbutanoylamino)benzoate
CID 96524520
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate (CID 50974626) is propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate is Cc1nonc1C(=O)NCC(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate?
The InChIKey is RVNSKUDFABMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O5/c1-8(2)25-16(24)11-6-10(4-5-12(11)17)19-13(22)7-18-15(23)14-9(3)20-26-21-14/h4-6,8H,7H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate?
propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate has a molecular weight of 380.79 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-chloro-5-[[2-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 50974626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).