1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea

C16H17N5O2S — CID 95768858

IUPAC1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H17N5O2S/c1-9(15-10(2)20-23-11(15)3)17-16(22)18-13-6-4-12(5-7-13)14-8-24-21-19-14/h4-9H,1-3H3,(H2,17,18,22)/t9-/m1/s1
InChIKeyJYLZYNWCDLKLPM-SECBINFHSA-N
MW343.41 g/mol
LogP3.69
Rot. Bonds4

About 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea

1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea (PubChem CID 95768858) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
PubChem CID95768858
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
SMILESCc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1
InChIInChI=1S/C16H17N5O2S/c1-9(15-10(2)20-23-11(15)3)17-16(22)18-13-6-4-12(5-7-13)14-8-24-21-19-14/h4-9H,1-3H3,(H2,17,18,22)/t9-/m1/s1
InChIKeyJYLZYNWCDLKLPM-SECBINFHSA-N
XLogP3.69
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
5-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]-2-fluoro-N-methylbenzamide
CID 95905887
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 56826995
N-[[3-[[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamoylamino]phenyl]methyl]-N-methylacetamide
CID 95768857
1-(2,6-dichloro-4-pyridinyl)-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 2796840
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-pyrimidin-2-ylpyrazol-4-yl)urea
CID 95899561
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]aniline
CID 155187671
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856758
N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 78961627
1-benzyl-3-[4-(thiadiazol-4-yl)phenyl]urea
CID 60577464
1-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96546435
1-cyclopropyl-3-[4-[(1R)-1-[[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]amino]ethyl]phenyl]urea
CID 97232042

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The IUPAC name of 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea (CID 95768858) is 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea is Cc1noc(C)c1[C@@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1.
What is the InChIKey of 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
The InChIKey is JYLZYNWCDLKLPM-SECBINFHSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9(15-10(2)20-23-11(15)3)17-16(22)18-13-6-4-12(5-7-13)14-8-24-21-19-14/h4-9H,1-3H3,(H2,17,18,22)/t9-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea?
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea has a molecular weight of 343.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea is sourced from PubChem (CID 95768858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).