1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

C18H24N4O3 — CID 97009416

IUPAC1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCc1nnc(-c2ccc(NC(=O)NC[C@H]3CCO[C@H]3C(C)C)cc2)o1
InChIInChI=1S/C18H24N4O3/c1-11(2)16-14(8-9-24-16)10-19-18(23)20-15-6-4-13(5-7-15)17-22-21-12(3)25-17/h4-7,11,14,16H,8-10H2,1-3H3,(H2,19,20,23)/t14-,16+/m1/s1
InChIKeyQMJYHBLFBOAKSN-ZBFHGGJFSA-N
MW344.42 g/mol
LogP3.23
Rot. Bonds5

About 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea

1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (PubChem CID 97009416) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
PubChem CID97009416
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
SMILESCc1nnc(-c2ccc(NC(=O)NC[C@H]3CCO[C@H]3C(C)C)cc2)o1
InChIInChI=1S/C18H24N4O3/c1-11(2)16-14(8-9-24-16)10-19-18(23)20-15-6-4-13(5-7-15)17-22-21-12(3)25-17/h4-7,11,14,16H,8-10H2,1-3H3,(H2,19,20,23)/t14-,16+/m1/s1
InChIKeyQMJYHBLFBOAKSN-ZBFHGGJFSA-N
XLogP3.23
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-2-pyridinyl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128999330
1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129002052
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 96569829
1-(4-hydroxy-2,2-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71981490
1-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 72885243
1-[(2-ethylphenyl)methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71864877
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[2-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 97271844
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 71981492
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxamide
CID 124648090
2-amino-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 164831396
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111618292

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea (CID 97009416) is 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is Cc1nnc(-c2ccc(NC(=O)NC[C@H]3CCO[C@H]3C(C)C)cc2)o1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
The InChIKey is QMJYHBLFBOAKSN-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(2)16-14(8-9-24-16)10-19-18(23)20-15-6-4-13(5-7-15)17-22-21-12(3)25-17/h4-7,11,14,16H,8-10H2,1-3H3,(H2,19,20,23)/t14-,16+/m1/s1.
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea?
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea has a molecular weight of 344.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[[(2S,3R)-2-propan-2-yloxolan-3-yl]methyl]urea is sourced from PubChem (CID 97009416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).