3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

C16H19N5O5 — CID 118768775

IUPAC3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(CNC(=O)Nc2ccc(OCC3CCCO3)cc2)no1
InChIInChI=1S/C16H19N5O5/c17-14(22)15-20-13(21-26-15)8-18-16(23)19-10-3-5-11(6-4-10)25-9-12-2-1-7-24-12/h3-6,12H,1-2,7-9H2,(H2,17,22)(H2,18,19,23)
InChIKeyAYWUMUJNYUFKJO-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.05
Rot. Bonds7

About 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide

3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 118768775) has the molecular formula C16H19N5O5 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID118768775
Molecular FormulaC16H19N5O5
Molecular Weight361.36 g/mol
Exact Mass361.14
IUPAC Name3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(CNC(=O)Nc2ccc(OCC3CCCO3)cc2)no1
InChIInChI=1S/C16H19N5O5/c17-14(22)15-20-13(21-26-15)8-18-16(23)19-10-3-5-11(6-4-10)25-9-12-2-1-7-24-12/h3-6,12H,1-2,7-9H2,(H2,17,22)(H2,18,19,23)
InChIKeyAYWUMUJNYUFKJO-UHFFFAOYSA-N
XLogP1.05
TPSA141.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[4-(oxolan-2-ylmethoxy)phenyl]urea
CID 118790558
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 97438213
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[4-[[(2R)-oxan-2-yl]methoxy]phenyl]urea
CID 97438214
1-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119283523
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
1-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97435833
1-[(2-methyl-3H-benzimidazol-5-yl)methyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 97454274
3-[(4-acetamidophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42650943
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide (CID 118768775) is 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc(CNC(=O)Nc2ccc(OCC3CCCO3)cc2)no1.
What is the InChIKey of 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is AYWUMUJNYUFKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O5/c17-14(22)15-20-13(21-26-15)8-18-16(23)19-10-3-5-11(6-4-10)25-9-12-2-1-7-24-12/h3-6,12H,1-2,7-9H2,(H2,17,22)(H2,18,19,23).
What are the key properties of 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide?
3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(oxolan-2-ylmethoxy)phenyl]carbamoylamino]methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 118768775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).