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

C16H26N4O4 — CID 129333525

IUPAC1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea
SMILESCc1noc([C@H](NC(=O)NC[C@]2(C)CCCO2)C2CCOCC2)n1
InChIInChI=1S/C16H26N4O4/c1-11-18-14(24-20-11)13(12-4-8-22-9-5-12)19-15(21)17-10-16(2)6-3-7-23-16/h12-13H,3-10H2,1-2H3,(H2,17,19,21)/t13-,16+/m1/s1
InChIKeyMJVBMYSHIYLJNH-CJNGLKHVSA-N
MW338.41 g/mol
LogP1.71
Rot. Bonds5

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

1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea (PubChem CID 129333525) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea
PubChem CID129333525
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea
SMILESCc1noc([C@H](NC(=O)NC[C@]2(C)CCCO2)C2CCOCC2)n1
InChIInChI=1S/C16H26N4O4/c1-11-18-14(24-20-11)13(12-4-8-22-9-5-12)19-15(21)17-10-16(2)6-3-7-23-16/h12-13H,3-10H2,1-2H3,(H2,17,19,21)/t13-,16+/m1/s1
InChIKeyMJVBMYSHIYLJNH-CJNGLKHVSA-N
XLogP1.71
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129330509
1-[2-(furan-2-yl)ethyl]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 128985907
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129340058
1-[(2S)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129351780
1-[(2R)-1-methoxybutan-2-yl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
CID 129328326
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-thiophen-3-ylurea
CID 129331095
1-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-(4-methyl-3-pyridinyl)urea
CID 128977865
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
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
3-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]thiophene-2-carboxamide
CID 128966227
N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 128994627
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95290615

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea?
The IUPAC name of 1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea (CID 129333525) is 1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea is Cc1noc([C@H](NC(=O)NC[C@]2(C)CCCO2)C2CCOCC2)n1.
What is the InChIKey of 1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea?
The InChIKey is MJVBMYSHIYLJNH-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-11-18-14(24-20-11)13(12-4-8-22-9-5-12)19-15(21)17-10-16(2)6-3-7-23-16/h12-13H,3-10H2,1-2H3,(H2,17,19,21)/t13-,16+/m1/s1.
What are the key properties of 1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea?
1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea has a molecular weight of 338.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea is sourced from PubChem (CID 129333525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).