1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

C18H25N5O3 — CID 129477625

IUPAC1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1cnccc1NC(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C18H25N5O3/c1-11(2)16-22-17(26-23-16)15(13-5-8-25-9-6-13)21-18(24)20-14-4-7-19-10-12(14)3/h4,7,10-11,13,15H,5-6,8-9H2,1-3H3,(H2,19,20,21,24)/t15-/m0/s1
InChIKeySWWUMAFTFXANGB-HNNXBMFYSA-N
MW359.43 g/mol
LogP3.19
Rot. Bonds5

About 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 129477625) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID129477625
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCc1cnccc1NC(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1
InChIInChI=1S/C18H25N5O3/c1-11(2)16-22-17(26-23-16)15(13-5-8-25-9-6-13)21-18(24)20-14-4-7-19-10-12(14)3/h4,7,10-11,13,15H,5-6,8-9H2,1-3H3,(H2,19,20,21,24)/t15-/m0/s1
InChIKeySWWUMAFTFXANGB-HNNXBMFYSA-N
XLogP3.19
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-(4-methyl-3-pyridinyl)-3-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129339097
1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea
CID 128977865
1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129006008
1-(dicyclopropylmethyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129337744
1-(1-methylpyrazol-3-yl)-3-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129473295
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 128967384
2-(6-methyl-3-pyridinyl)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 129473159
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 128994165
1-[(2S,3R)-2-methyloxolan-3-yl]-3-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 129342076
N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-3-carboxamide
CID 129471841
3,5-dimethyl-N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrrole-2-carboxamide
CID 128973953
(2R)-N-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-thiophen-2-ylpropanamide
CID 129471846

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 129477625) is 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is Cc1cnccc1NC(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1.
What is the InChIKey of 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is SWWUMAFTFXANGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-11(2)16-22-17(26-23-16)15(13-5-8-25-9-6-13)21-18(24)20-14-4-7-19-10-12(14)3/h4,7,10-11,13,15H,5-6,8-9H2,1-3H3,(H2,19,20,21,24)/t15-/m0/s1.
What are the key properties of 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 359.43 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-pyridinyl)-3-[(S)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 129477625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).