1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea

C16H21N5O2 — CID 167864411

IUPAC1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccncc1C
InChIInChI=1S/C16H21N5O2/c1-3-21-8-7-18-15(21)14-13(5-9-23-14)20-16(22)19-12-4-6-17-10-11(12)2/h4,6-8,10,13-14H,3,5,9H2,1-2H3,(H2,17,19,20,22)/t13-,14-/m0/s1
InChIKeyOWSPMCWOBQEAON-KBPBESRZSA-N
MW315.38 g/mol
LogP2.26
Rot. Bonds4

About 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea

1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea (PubChem CID 167864411) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea
PubChem CID167864411
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea
SMILESCCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccncc1C
InChIInChI=1S/C16H21N5O2/c1-3-21-8-7-18-15(21)14-13(5-9-23-14)20-16(22)19-12-4-6-17-10-11(12)2/h4,6-8,10,13-14H,3,5,9H2,1-2H3,(H2,17,19,20,22)/t13-,14-/m0/s1
InChIKeyOWSPMCWOBQEAON-KBPBESRZSA-N
XLogP2.26
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea with MolForge

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Related Compounds

1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(1-methylpyrazol-3-yl)urea
CID 128982943
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide
CID 128987407
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
CID 128986874
5-ethyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]furan-2-carboxamide
CID 128986202
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
CID 128986179
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 128986150
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 128977398
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(5-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 128976336
(2S)-2-(cyclopropylmethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]propanamide
CID 129335309
[5-[[[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]amino]methyl]furan-2-yl]methanol
CID 128970916
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]oxolan-3-amine
CID 128967905
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3,5-difluoropyridine-2-carboxamide
CID 128989734

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea (CID 167864411) is 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea is CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)Nc1ccncc1C.
What is the InChIKey of 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is OWSPMCWOBQEAON-KBPBESRZSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-21-8-7-18-15(21)14-13(5-9-23-14)20-16(22)19-12-4-6-17-10-11(12)2/h4,6-8,10,13-14H,3,5,9H2,1-2H3,(H2,17,19,20,22)/t13-,14-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea?
1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 315.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 167864411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).