1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea

C15H26N4O3 — CID 164642438

IUPAC1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea
SMILESCNC(=O)NC[C@H]1COCCN1Cc1coc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)13-18-11(9-22-13)8-19-5-6-21-10-12(19)7-17-14(20)16-4/h9,12H,5-8,10H2,1-4H3,(H2,16,17,20)/t12-/m0/s1
InChIKeyRXUMOBLMVGULTP-LBPRGKRZSA-N
MW310.40 g/mol
LogP1.10
Rot. Bonds4

About 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea

1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea (PubChem CID 164642438) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea
PubChem CID164642438
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea
SMILESCNC(=O)NC[C@H]1COCCN1Cc1coc(C(C)(C)C)n1
InChIInChI=1S/C15H26N4O3/c1-15(2,3)13-18-11(9-22-13)8-19-5-6-21-10-12(19)7-17-14(20)16-4/h9,12H,5-8,10H2,1-4H3,(H2,16,17,20)/t12-/m0/s1
InChIKeyRXUMOBLMVGULTP-LBPRGKRZSA-N
XLogP1.10
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea (CID 164642438) is 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea is CNC(=O)NC[C@H]1COCCN1Cc1coc(C(C)(C)C)n1.
What is the InChIKey of 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea?
The InChIKey is RXUMOBLMVGULTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)13-18-11(9-22-13)8-19-5-6-21-10-12(19)7-17-14(20)16-4/h9,12H,5-8,10H2,1-4H3,(H2,16,17,20)/t12-/m0/s1.
What are the key properties of 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea?
1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea has a molecular weight of 310.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-4-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]morpholin-3-yl]methyl]-3-methylurea is sourced from PubChem (CID 164642438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).