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

C17H26N4O3 — CID 129330509

IUPAC1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
SMILESCc1noc([C@H](NC(=O)NCC2(C3CC3)CC2)C2CCOCC2)n1
InChIInChI=1S/C17H26N4O3/c1-11-19-15(24-21-11)14(12-4-8-23-9-5-12)20-16(22)18-10-17(6-7-17)13-2-3-13/h12-14H,2-10H2,1H3,(H2,18,20,22)/t14-/m1/s1
InChIKeyHZLZCTDJFKNYDC-CQSZACIVSA-N
MW334.42 g/mol
LogP2.34
Rot. Bonds6

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

1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea (PubChem CID 129330509) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
PubChem CID129330509
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea
SMILESCc1noc([C@H](NC(=O)NCC2(C3CC3)CC2)C2CCOCC2)n1
InChIInChI=1S/C17H26N4O3/c1-11-19-15(24-21-11)14(12-4-8-23-9-5-12)20-16(22)18-10-17(6-7-17)13-2-3-13/h12-14H,2-10H2,1H3,(H2,18,20,22)/t14-/m1/s1
InChIKeyHZLZCTDJFKNYDC-CQSZACIVSA-N
XLogP2.34
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The IUPAC name of 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea (CID 129330509) is 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The canonical SMILES for 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea is Cc1noc([C@H](NC(=O)NCC2(C3CC3)CC2)C2CCOCC2)n1.
What is the InChIKey of 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
The InChIKey is HZLZCTDJFKNYDC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11-19-15(24-21-11)14(12-4-8-23-9-5-12)20-16(22)18-10-17(6-7-17)13-2-3-13/h12-14H,2-10H2,1H3,(H2,18,20,22)/t14-/m1/s1.
What are the key properties of 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea?
1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea has a molecular weight of 334.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylcyclopropyl)methyl]-3-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]urea is sourced from PubChem (CID 129330509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).