1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea

C19H23N5O3 — CID 166407891

IUPAC1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
SMILESCCn1cc([C@@H]2OCCC[C@H]2NC(=O)Nc2cccc3c2CNC3=O)cn1
InChIInChI=1S/C19H23N5O3/c1-2-24-11-12(9-21-24)17-16(7-4-8-27-17)23-19(26)22-15-6-3-5-13-14(15)10-20-18(13)25/h3,5-6,9,11,16-17H,2,4,7-8,10H2,1H3,(H,20,25)(H2,22,23,26)/t16-,17+/m1/s1
InChIKeyZBZVUMWYOGIZHZ-SJORKVTESA-N
MW369.43 g/mol
LogP2.19
Rot. Bonds4

About 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea

1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea (PubChem CID 166407891) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea.

Molecular Properties

Compound Name1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
PubChem CID166407891
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea
SMILESCCn1cc([C@@H]2OCCC[C@H]2NC(=O)Nc2cccc3c2CNC3=O)cn1
InChIInChI=1S/C19H23N5O3/c1-2-24-11-12(9-21-24)17-16(7-4-8-27-17)23-19(26)22-15-6-3-5-13-14(15)10-20-18(13)25/h3,5-6,9,11,16-17H,2,4,7-8,10H2,1H3,(H,20,25)(H2,22,23,26)/t16-,17+/m1/s1
InChIKeyZBZVUMWYOGIZHZ-SJORKVTESA-N
XLogP2.19
TPSA97.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
CID 128993229
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1H-indole-7-carboxamide
CID 129006077
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 128970251
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-fluoro-3-methylbenzamide
CID 129006150
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-3-(1,2-oxazol-3-yl)urea
CID 128968666
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide
CID 128968897
(2R,3S)-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)oxan-3-amine
CID 129370432
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129342159
butyl 2-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]propanoate
CID 136588873
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-1,3-oxazole-5-sulfonamide
CID 166308374

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea?
The IUPAC name of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea (CID 166407891) is 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea.
What is the SMILES notation for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea?
The canonical SMILES for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea is CCn1cc([C@@H]2OCCC[C@H]2NC(=O)Nc2cccc3c2CNC3=O)cn1.
What is the InChIKey of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea?
The InChIKey is ZBZVUMWYOGIZHZ-SJORKVTESA-N. The full InChI is InChI=1S/C19H23N5O3/c1-2-24-11-12(9-21-24)17-16(7-4-8-27-17)23-19(26)22-15-6-3-5-13-14(15)10-20-18(13)25/h3,5-6,9,11,16-17H,2,4,7-8,10H2,1H3,(H,20,25)(H2,22,23,26)/t16-,17+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea?
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea has a molecular weight of 369.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1-oxo-2,3-dihydroisoindol-4-yl)urea is sourced from PubChem (CID 166407891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).